data_2mxz_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mxz _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -145.22 155.23 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.88 113.27 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.73 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -36.17 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -77.52 -45.26 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -63.39 -54.19 40.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.05 -34.64 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -48.27 23.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.16 -49.34 32.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.98 -31.43 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -9.5 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -6.33 21.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 p -63.78 144.59 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.0 mptt -71.48 -60.5 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.7 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.0 24.2 12.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -56.53 -29.72 62.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -53.39 -56.28 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.89 -37.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -52.02 67.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -59.05 -55.04 40.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -58.49 -43.24 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.86 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -36.95 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.44 -50.99 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -50.55 -55.73 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.64 159.73 3.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.681 0.753 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -109.07 136.81 47.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.34 176.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.6 p90 -155.0 145.31 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -105.05 140.42 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 mm -79.14 138.29 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -108.19 -44.52 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -153.19 143.45 22.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.96 -57.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 tp -130.49 154.3 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.7 mm -55.71 -46.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -84.51 -1.05 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.36 27.47 65.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -107.75 22.02 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.95 158.97 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.7 161.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -118.74 139.63 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -139.04 175.04 9.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.78 133.99 20.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.55 4.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.41 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.01 131.51 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -147.79 140.76 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 59.48 33.07 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.48 19.36 68.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.9 157.31 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.68 130.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.91 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -93.73 -18.15 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.44 -25.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.42 69.37 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -22.29 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -51.97 -54.28 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.21 -32.42 74.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.01 -30.47 25.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -69.75 -44.76 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.36 -27.57 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -78.75 -52.41 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.98 -37.98 86.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -54.17 -28.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.2 -44.11 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.7 -34.46 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -76.37 -30.76 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.37 -32.15 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.08 -29.52 66.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -34.39 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.4 -39.65 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.54 -18.29 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.5 -10.07 65.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.43 138.55 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 108.1 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.1 t60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -100.62 134.45 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.24 164.46 29.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.93 140.22 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.847 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.948 0.404 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -145.64 148.25 32.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -54.45 114.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.76 176.64 5.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.22 -37.09 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -78.3 -45.3 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.21 -54.59 45.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -51.21 -35.98 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -32.04 59.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.25 -49.56 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.88 60.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -101.32 -2.86 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.12 143.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.77 -60.35 1.98 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.3 Cg_endo -69.75 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -112.87 17.37 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.82 -33.88 51.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -58.32 -29.86 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -52.46 -55.92 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 t -56.34 -40.24 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -57.01 -55.47 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -59.79 -42.23 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.33 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.49 -38.55 20.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.6 -44.93 9.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.5 -59.61 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.57 159.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.74 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.41 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.25 137.75 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.08 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -161.15 143.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -104.01 141.42 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.5 mm -84.65 138.91 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.36 -45.35 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.3 144.93 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.91 -58.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.31 141.38 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.105 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.8 mm -54.9 -44.28 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 t -87.93 -1.09 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.35 25.01 64.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -102.47 21.43 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.74 160.07 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -150.82 163.26 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.16 138.87 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -141.92 174.39 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.77 134.52 18.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.66 134.09 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.0 mp -149.11 137.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 t30 61.5 33.13 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.66 11.29 62.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -139.83 159.04 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.89 136.83 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -109.61 99.73 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -113.17 -15.4 12.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.28 -44.06 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.06 83.71 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -52.33 -59.54 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.07 -21.96 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -55.37 -25.81 37.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.12 -47.85 75.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 p -79.77 -28.76 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -59.21 -32.94 70.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -65.99 -27.68 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.72 -32.48 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.53 -47.14 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.54 -31.86 65.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -76.06 -45.4 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.9 -37.68 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.66 -19.67 71.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -69.16 -55.01 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.77 -40.49 61.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.54 -20.16 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.58 -0.2 77.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.05 128.36 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 146.04 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 21.2 t60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.3 m -100.2 133.84 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.27 167.76 21.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.5 mt -87.65 108.28 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.799 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.2 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -142.19 139.36 32.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -53.39 121.32 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.68 -169.12 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -76.39 -44.94 34.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -63.23 -53.24 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.47 -38.81 45.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -36.41 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.69 -50.56 71.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.67 -25.67 56.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -9.43 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.96 -13.2 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 p -56.42 144.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.63 -59.86 2.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.5 Cg_endo -69.79 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.95 16.45 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 pp -52.59 -31.84 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.93 -29.92 67.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -51.42 -55.71 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 t -57.38 -40.12 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -58.09 -55.64 32.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -58.45 -44.04 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.99 68.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -47.88 -39.6 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.4 -45.94 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.2 mt -51.17 -59.6 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.2 157.54 4.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 135.47 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.78 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -163.1 138.02 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -99.13 135.81 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mm -73.56 139.49 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -107.74 -44.63 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -153.43 141.53 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.04 -58.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 tp -131.73 154.96 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.9 mm -54.21 -42.01 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -98.5 3.65 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.34 21.83 60.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -96.24 21.59 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.47 161.72 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.95 161.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.33 143.88 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -142.66 174.8 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.44 21.15 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.72 4.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.2 130.72 37.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.9 mp -147.49 140.92 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 59.53 33.13 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.39 19.08 68.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -148.07 160.51 42.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 130.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.42 90.62 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -99.72 -18.0 17.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -103.15 1.47 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.21 77.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -21.66 66.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.03 -62.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -22.7 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -74.09 -32.47 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.69 -47.07 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.092 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.25 -28.23 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.37 -30.38 71.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -70.95 -28.43 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.82 -51.4 33.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.42 -32.28 73.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -76.28 -44.26 37.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.05 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.07 -19.54 73.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.36 -54.09 33.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.712 0.291 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.24 -23.28 67.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.35 -5.23 73.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 mp -80.79 124.21 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 134.13 55.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 48.8 t60 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.3 m -102.56 133.38 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -135.24 174.08 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.9 mt -89.18 119.46 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.8 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.944 0.402 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -138.72 146.59 41.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.79 116.67 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.65 176.34 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -37.55 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -78.12 -45.13 24.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -57.29 -54.81 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.09 -34.97 32.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -33.53 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.59 -48.78 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.94 -28.54 60.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.03 -8.38 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -106.75 3.77 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.85 143.72 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -70.5 -60.75 3.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 54.1 Cg_endo -69.74 -164.7 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -113.03 23.48 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.87 -36.46 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -52.28 -29.79 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -52.76 -55.63 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.54 -39.43 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.41 -54.45 46.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -59.2 -41.02 87.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -34.66 75.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -48.86 -40.54 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.68 -47.25 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.5 mt -50.78 -52.75 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -53.85 157.06 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.686 0.755 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.99 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.05 127.61 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.14 166.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 13.1 p90 -145.99 140.47 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -100.36 132.06 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 mm -76.64 139.17 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.8 t -104.2 -45.15 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.57 152.69 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.99 -58.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.03 144.83 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.35 -40.94 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.2 p -83.37 -4.41 58.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.18 16.6 49.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -100.82 22.11 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.11 161.59 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.29 160.23 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.75 138.27 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -138.02 173.93 11.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.23 21.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.23 4.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -94.79 118.06 31.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -137.71 142.49 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 62.02 32.92 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.47 15.4 65.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -147.36 165.9 28.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.319 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.77 133.44 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.77 95.7 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -110.41 -15.37 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.92 -39.69 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.53 85.15 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -20.93 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.32 -57.07 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.02 86.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -55.9 -29.54 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -74.31 -24.18 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.38 -47.37 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 p -62.57 -27.87 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.81 -40.86 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -56.56 -28.51 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.21 74.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.64 -54.17 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.37 -31.96 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.93 -30.99 58.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.73 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.59 45.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -73.49 -55.83 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -38.81 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 mt -75.86 -29.5 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.09 -17.51 53.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.8 133.37 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 143.57 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.9 t60 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.21 137.28 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.48 168.56 19.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.68 129.65 34.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.3 t80 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.941 0.401 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -142.68 145.87 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.74 117.42 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.05 -168.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.489 HD21 ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -78.75 -27.05 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.489 ' N ' HD21 ' A' ' 8' ' ' ASN . 14.0 m -68.75 -56.21 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.43 -35.32 38.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.71 -36.31 57.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -58.15 -49.67 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.01 -27.46 60.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.14 -10.41 59.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.01 0.91 32.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 p -70.99 145.35 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.15 -60.66 2.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 54.3 Cg_endo -69.72 -165.2 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.9 16.4 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.44 -36.15 42.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -53.06 -29.76 31.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -53.21 -55.94 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 t -56.34 -40.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.72 -55.41 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.97 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.18 -38.68 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.8 -45.73 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.7 mt -51.97 -58.97 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.45 158.34 4.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.31 134.47 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.54 177.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -154.21 142.67 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -101.97 137.4 40.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 mm -76.49 139.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.64 -44.77 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.69 141.57 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.95 -58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.95 141.19 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.108 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.784 0.326 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.6 -22.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.0 p -100.72 5.6 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.87 24.9 43.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -103.78 21.76 15.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -173.73 164.44 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.62 160.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.88 142.76 46.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -142.39 174.73 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.27 133.71 18.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.65 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.76 130.31 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -147.34 140.48 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 60.3 32.88 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.43 17.96 69.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -148.13 159.54 43.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.4 132.1 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.2 92.53 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -104.69 -17.35 14.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -92.07 -52.03 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 84.56 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.41 -21.56 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -51.22 -55.85 15.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -56.08 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -72.52 -28.9 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.77 -28.31 50.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.1 t -77.84 -52.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -54.97 -29.83 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -69.58 -27.87 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.07 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.83 -39.66 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -75.24 -34.38 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -76.22 -30.78 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.57 61.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.09 -19.71 57.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -69.35 -53.08 21.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.29 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.1 -37.89 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.83 -20.59 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.45 -4.18 74.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.22 127.79 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 142.09 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.2 m -104.84 131.48 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -132.88 173.12 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 tp -94.02 132.45 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.935 0.398 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -137.12 148.67 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.63 116.28 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.75 176.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -40.24 65.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -77.16 -45.78 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -51.02 -52.19 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.65 -37.05 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.77 -29.23 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 28.1 mt-30 -66.23 -49.62 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.03 -28.02 60.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.39 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 p -101.12 -1.25 34.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.44 143.42 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 1.6 mptm? -72.51 -60.12 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.5 Cg_endo -69.75 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.54 20.99 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -56.12 -36.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -52.01 -29.88 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -52.62 -55.36 22.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -56.18 -39.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.75 -55.34 35.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -57.88 -39.82 78.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.01 89.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -37.37 17.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.91 -48.56 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.4 mt -51.7 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 157.71 4.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.694 0.759 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -48.64 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 128.03 54.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -54.71 174.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -149.24 145.54 27.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 t -103.65 133.93 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.7 mm -74.99 139.85 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.29 -44.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -153.96 147.84 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -135.04 -59.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.34 140.41 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.158 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mm -61.28 -38.49 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -86.75 0.27 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.57 19.17 40.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -101.89 21.51 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.2 158.93 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.21 163.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -122.03 140.89 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.86 174.99 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.31 132.06 20.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 114.84 3.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.91 131.13 35.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.2 mp -148.21 139.55 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 59.23 33.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 19.29 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -148.32 156.24 42.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.12 135.63 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -104.63 97.35 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -113.25 -16.56 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.19 -41.87 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 89.77 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -21.63 66.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -51.75 -59.85 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.41 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.47 -26.73 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -73.82 -38.29 64.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.97 -33.2 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.6 t -70.17 -52.46 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -63.86 -31.23 72.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -58.77 -28.02 65.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.49 -46.24 70.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -67.91 -36.9 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -76.46 -30.89 57.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.57 -56.17 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.91 59.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.36 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.15 -39.97 24.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.29 -20.23 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.23 -2.16 77.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.29 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 121.33 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.6 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -106.26 134.54 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -139.8 168.84 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.64 119.04 18.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.781 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.72 146.4 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.17 134.47 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.49 -171.15 43.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -38.39 91.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.15 -45.58 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -55.21 -53.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -50.61 -35.72 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -32.63 59.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.33 -49.34 74.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.92 -27.72 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.16 -10.74 59.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -103.25 -4.79 23.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 p -63.3 143.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.1 mmtp -70.43 -60.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.5 Cg_endo -69.79 -164.9 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.61 21.98 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.66 -35.77 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.73 -29.8 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -55.97 -55.93 26.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.06 -39.06 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.7 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -59.58 -55.22 37.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.26 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.97 -33.43 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.93 -49.46 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -52.39 -55.2 23.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.52 158.89 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.81 177.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 11.5 p90 -155.72 139.47 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -99.52 128.71 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 mm -71.53 139.62 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.84 -45.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -153.59 155.44 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.12 -58.28 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.0 145.57 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.09 -42.02 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.3 p -93.97 -1.14 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.97 19.42 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -96.8 22.05 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.15 161.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.92 157.31 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.49 144.91 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -145.21 174.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 133.49 21.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.51 0.671 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.31 4.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.85 127.87 39.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -146.22 142.36 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.01 65.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -146.68 162.42 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.07 131.78 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.51 85.61 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -93.68 -15.58 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -106.98 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.27 77.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -56.13 -60.91 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.53 -22.93 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.8 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -58.23 -21.07 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.97 -44.8 25.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -78.97 -29.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -60.77 -47.41 86.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -52.98 -28.48 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.52 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.37 -53.91 36.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.58 -32.2 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -75.89 -30.37 58.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.08 -30.01 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -32.89 64.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -73.0 -34.9 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.42 -40.48 21.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.7 mt -81.45 -14.2 57.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.76 -0.11 78.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.57 132.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 140.75 51.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 46.7 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.46 134.02 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.8 158.34 44.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.56 142.26 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.8 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -150.91 144.67 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.81 131.05 30.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.02 -169.96 28.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.55 94.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.83 -45.31 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -55.78 -53.7 53.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.16 -37.26 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -31.56 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.14 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -22.29 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.08 -10.77 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.95 -7.87 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 p -63.11 142.37 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 17.3 tptt -70.98 -59.12 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.4 Cg_endo -69.75 -164.77 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.733 2.288 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.02 17.02 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 pp -51.57 -36.01 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -29.71 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -51.96 -55.64 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.49 -39.13 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.01 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -60.51 -55.25 35.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -36.11 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.67 -34.85 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -91.31 -51.48 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -51.12 -57.51 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.18 154.81 7.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.12 130.79 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 178.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.74 138.34 15.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -100.17 126.59 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mm -68.14 139.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.0 -44.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.03 146.55 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.78 -57.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 tp -131.33 150.72 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mm -58.56 -41.1 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -94.79 8.19 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.84 24.1 32.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -102.52 21.78 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -171.22 159.22 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.54 159.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -112.77 143.93 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -142.47 175.05 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.19 132.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 115.22 3.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.74 132.33 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -148.07 140.51 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 59.59 33.11 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.07 66.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -145.48 160.33 41.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.3 127.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.79 84.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -89.83 -16.23 30.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -100.35 -28.84 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 79.74 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.13 -20.46 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -57.87 -65.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.31 -20.04 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.76 -65.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -61.47 -15.89 41.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.34 -38.12 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.3 t -80.25 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -55.76 -29.54 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -54.58 -27.72 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.75 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.22 -41.36 77.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.56 -38.53 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -76.51 -34.69 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.4 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.19 -19.21 56.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -74.45 -56.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.08 -38.18 63.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.5 mt -77.85 -29.11 50.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.58 57.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.8 134.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 135.11 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.7 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.871 0.367 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 m -103.84 132.16 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -135.92 169.98 16.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.61 139.05 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -135.55 146.99 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -52.25 115.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.12 -169.96 1.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -36.86 82.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -77.25 -45.1 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -61.51 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -51.69 -41.11 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.28 -28.84 57.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 8.5 mm-40 -63.4 -51.16 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.5 -25.14 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.48 -12.89 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.08 -6.76 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.01 143.05 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.27 -59.9 2.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.2 Cg_endo -69.76 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 17.2 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.9 -35.8 46.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -56.33 -32.51 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -50.86 -45.86 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.91 -37.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -53.33 58.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.64 -48.57 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -62.37 -32.35 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.04 78.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.36 -33.21 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.79 -52.8 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.41 -53.47 36.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.6 p -54.42 154.77 8.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -35.49 12.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.89 155.58 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.01 -177.4 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 7.4 p90 -164.48 137.27 4.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -99.01 131.12 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.34 138.77 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.8 t -105.63 -44.99 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -153.81 137.36 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.16 -58.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.29 143.12 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mm -59.28 -38.44 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.8 p -90.18 2.81 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.39 60.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.77 21.72 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -172.78 155.45 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.56 161.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -120.99 153.94 36.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -154.25 175.87 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.17 132.15 23.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 115.38 4.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -92.08 130.29 37.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mp -147.0 141.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.18 33.35 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.69 19.41 67.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -147.97 159.55 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.8 130.92 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.17 92.83 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -101.02 -15.49 17.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -113.29 13.73 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -116.8 79.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -21.7 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.39 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.0 -21.84 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -53.7 -52.5 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -61.02 -30.07 70.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -78.07 -27.74 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -65.91 -31.93 73.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -71.75 -27.55 63.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.81 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.1 -44.39 84.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.85 -32.48 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -76.07 -30.89 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.25 -53.29 25.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.11 -19.88 57.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -65.72 -56.06 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.69 -38.93 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.71 -17.32 64.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.46 -1.57 76.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.73 126.04 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 135.67 57.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 52.3 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 m -104.86 139.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -145.5 156.61 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.16 132.13 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.834 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.6 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -142.88 148.8 37.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.29 117.63 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.47 -173.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.69 87.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -77.3 -45.98 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -56.57 -49.84 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.48 -41.22 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -29.06 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.15 -50.96 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.32 -26.51 58.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.75 -11.29 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -1.25 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -69.4 141.38 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 tttt -70.77 -58.91 4.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.548 0.689 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.7 Cg_endo -69.74 -164.96 0.14 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.29 16.96 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.9 -33.78 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -29.78 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -51.98 -56.18 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.37 -38.29 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.63 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -60.18 -55.2 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -38.34 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.23 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -36.56 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.89 -50.77 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -51.13 -57.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -54.31 155.68 6.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.93 147.65 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.51 -178.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.5 p90 -163.82 137.27 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -101.18 128.63 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 mm -63.34 139.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -106.17 -45.54 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -154.32 146.95 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.86 -59.77 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.71 150.16 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mm -57.57 -42.67 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.7 p -84.94 -1.99 57.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.61 16.9 46.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.99 21.57 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.57 156.11 15.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.11 155.84 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -107.87 153.79 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -149.26 174.18 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.97 132.47 21.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.313 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.405 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -95.53 127.74 41.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mp -145.85 142.92 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.7 t30 61.64 32.92 18.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.51 15.69 64.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -146.47 165.36 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.75 132.05 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -91.98 -15.86 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -106.17 10.58 31.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.0 77.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -22.59 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.95 -61.64 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.25 -24.9 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -36.52 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -66.14 -26.99 67.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.16 -47.29 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.62 -27.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -36.35 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -73.14 -27.92 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.77 -33.25 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -70.82 -54.25 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.54 -33.62 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -76.17 -43.42 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.66 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.92 -20.02 72.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -68.97 -54.39 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -75.62 -40.7 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.75 -26.23 64.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.3 64.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.6 127.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 113.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 t60 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.0 m -99.2 140.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -145.27 166.65 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mp -82.59 121.06 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.826 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -141.33 141.38 33.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -51.98 121.18 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -168.89 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.02 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -77.78 -45.51 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -60.95 -48.22 82.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.94 -43.89 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.2 -29.04 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.52 ' NE2' ' H ' ' A' ' 40' ' ' GLY . 7.0 mm100 -61.01 -53.04 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.28 -32.67 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m -98.78 -22.11 16.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -46.1 143.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 11.9 tptp -71.75 -58.99 3.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.4 Cg_endo -69.79 -165.43 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.254 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.47 15.78 20.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -29.65 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -50.76 -55.77 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.93 -40.57 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.68 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -57.37 -55.49 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -45.8 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.4 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.6 -41.84 43.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.11 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.7 mt -50.88 -59.78 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.31 157.52 4.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -103.08 133.07 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.01 -177.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.72 139.46 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -99.73 140.0 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mm -78.66 136.67 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -45.02 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -154.14 131.97 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.52 ' H ' ' NE2' ' A' ' 12' ' ' GLN . . . -116.42 -58.42 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.1 tp -133.55 152.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.27 -39.1 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -90.65 1.35 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.29 17.08 45.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -97.2 22.31 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.64 157.45 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.52 163.83 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.86 141.32 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.53 175.0 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.74 134.56 19.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.83 4.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.56 131.46 35.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -148.58 140.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 60.82 32.74 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.71 15.47 66.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 162.01 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.07 135.43 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -107.28 97.9 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -113.47 -16.51 12.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.75 -44.68 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.33 88.51 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.63 -21.28 66.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.77 -54.21 20.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.78 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.63 -25.8 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -74.14 -40.52 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.55 -47.18 56.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.97 -52.46 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -37.31 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -27.1 38.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.26 -29.1 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.56 -40.19 80.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.41 -35.62 60.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -76.41 -34.16 58.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.59 94.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.57 -19.83 73.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -73.42 -46.32 49.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.21 -41.26 22.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.18 -23.17 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.82 -11.9 63.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.58 124.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 131.96 51.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 25.7 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -105.57 136.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -138.15 167.06 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.52 119.36 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.92 0.39 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -151.43 148.19 27.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -52.44 140.51 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.55 -171.14 47.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.436 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.4 89.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.22 -45.36 26.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 t -52.88 -54.14 38.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -50.61 -34.53 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.21 -33.01 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.92 -48.34 76.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.22 -30.28 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -14.04 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -99.19 -4.09 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.01 143.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -73.23 -59.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.6 Cg_endo -69.75 -165.01 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -111.64 16.45 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.68 -34.37 51.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.91 -29.69 65.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -53.86 -56.47 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.37 -34.74 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.79 64.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -62.4 -50.51 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.47 -32.09 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.29 87.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.49 -33.96 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.93 -50.24 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.17 -55.47 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.6 159.41 3.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -108.33 138.14 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -176.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 6.6 p90 -160.1 141.15 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -100.64 132.83 45.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.99 139.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -104.48 -45.73 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -154.28 151.72 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -135.32 -59.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.27 143.03 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 111.164 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.793 0.33 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.7 -44.11 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -99.14 7.98 45.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.66 21.51 58.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.25 22.6 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.7 158.43 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.6 161.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -119.02 150.67 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -155.42 174.72 14.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.79 135.76 22.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.2 121.0 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.97 141.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 59.73 34.01 21.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.34 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -145.88 159.15 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.02 135.42 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -105.3 98.1 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -113.76 -15.3 12.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -96.91 -52.61 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.14 87.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -21.47 66.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -54.02 -67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -29.26 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -73.63 -41.55 62.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.97 -52.76 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -60.7 -29.86 69.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.51 -28.34 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.74 -30.94 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.46 -50.38 52.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.29 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -76.12 -38.97 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.85 -51.39 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.46 -19.99 28.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -39.62 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.03 -36.98 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 mt -87.9 -19.84 26.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.82 -15.11 58.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.83 136.12 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 125.76 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 52.6 t60 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.8 137.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -144.3 159.91 41.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.03 137.09 57.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.817 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -149.94 144.23 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -57.25 127.47 32.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 173.87 46.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -50.41 -32.93 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.833 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 4.5 p30 -81.06 -45.97 15.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 m -59.97 -53.38 58.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -49.92 -37.53 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -76.16 -32.51 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -61.78 -49.22 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.25 -29.49 61.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.55 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -107.28 0.7 23.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -65.52 149.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.07 -62.13 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 54.1 Cg_endo -69.74 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -110.5 22.33 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.03 -35.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -52.14 -29.91 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.81 -54.18 49.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.7 -40.27 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.79 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.34 -55.48 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -58.03 -38.86 77.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.42 85.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -34.33 13.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.15 -51.91 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.6 mt -51.21 -54.06 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -59.42 156.34 31.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.13 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.58 137.75 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.16 176.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -149.02 138.29 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -94.67 134.54 37.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mm -85.66 140.52 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -104.44 -45.2 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -154.53 162.9 40.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.07 -58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.54 151.11 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.795 0.331 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.8 mm -53.09 -39.69 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.98 13.57 20.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.22 29.97 60.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.93 21.5 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -174.59 171.47 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.49 156.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.45 135.96 45.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.64 165.22 30.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.23 137.25 16.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 116.1 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.39 140.11 30.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mp -153.55 134.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.74 33.09 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.64 73.73 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.75 150.7 35.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.09 132.86 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.13 87.64 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -95.37 -19.99 19.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -98.61 -38.98 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.46 78.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.59 -24.15 66.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -51.93 -58.75 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.25 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.78 -44.37 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -53.79 -27.18 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.92 -33.82 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.0 t -79.33 -52.79 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -43.73 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.3 -33.46 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -68.1 -44.04 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.19 -32.61 61.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -76.42 -37.75 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -20.9 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -73.25 -55.86 5.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.91 -38.26 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.84 -15.31 60.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.61 1.18 76.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 mp -79.74 138.38 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.131 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 137.45 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.44 125.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.23 169.06 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.54 145.45 30.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -142.76 148.23 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -55.32 119.6 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.33 -174.11 2.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.28 82.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -77.26 -45.21 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.3 -52.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -50.48 -39.82 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -35.29 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -56.28 -51.51 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.68 -26.62 57.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 -6.21 50.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -108.03 3.37 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -70.28 148.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -72.86 -61.96 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.937 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 53.6 Cg_endo -69.76 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -111.65 25.13 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.36 -34.32 75.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -56.34 -29.79 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -54.34 -55.63 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.92 -38.99 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.51 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -60.26 -55.13 37.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.53 -38.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.14 -32.89 10.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.54 -49.63 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.83 -60.43 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.75 160.7 2.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -103.86 152.49 21.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.67 172.63 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.422 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.8 p90 -144.01 140.17 29.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -93.66 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.55 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -104.53 -45.23 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -154.56 154.44 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.82 -58.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 tp -132.52 155.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.6 mm -54.88 -40.53 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.1 p -101.51 6.74 42.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.09 27.57 51.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -94.89 22.17 6.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.29 160.09 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.0 162.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.08 138.39 49.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -149.32 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.62 136.88 24.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.733 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.422 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -94.31 138.99 31.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 mp -152.62 134.9 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 59.05 33.04 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.82 18.77 74.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.06 149.22 31.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.62 135.62 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -105.65 92.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -108.19 -18.8 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -96.42 -50.72 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.22 86.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 90' ' ' PHE . 2.2 pt? -65.9 -20.06 66.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.75 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -21.24 60.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 1.1 t80 -51.69 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 91' ' ' TRP . 1.6 p90 -62.51 -14.89 46.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.81 -48.99 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 p -81.92 -35.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -39.49 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -53.38 -27.56 24.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.86 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.72 -46.13 76.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.38 -34.93 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.17 -48.23 52.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.65 -28.46 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.64 -26.34 74.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -35.09 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.52 -35.6 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.76 -11.06 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.97 2.43 71.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.8 mp -86.91 124.63 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.79 148.98 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 28.1 m -120.11 124.86 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -119.04 165.86 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 mp -87.64 105.23 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.883 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.8 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.961 0.41 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -135.88 144.57 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -51.86 111.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.41 -168.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -37.61 86.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -77.45 -41.4 39.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -66.23 -53.11 40.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -51.44 -42.57 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.93 -28.9 58.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 4.9 mt-30 -62.62 -52.38 63.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.24 -24.83 57.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.05 -9.52 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.44 -7.19 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -62.51 142.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -71.19 -59.76 3.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.8 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.73 16.39 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.87 -31.5 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.17 -29.9 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -52.24 -55.99 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 t -56.95 -39.79 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.75 68.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -57.51 -55.46 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -59.52 -41.81 90.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.07 -41.67 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -38.15 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.91 -45.19 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.16 -58.05 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.64 159.47 3.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.57 138.19 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.63 171.04 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.443 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 9.3 p90 -148.15 145.02 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -105.74 127.24 52.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.24 140.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.79 -45.66 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -154.3 147.0 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -132.55 -59.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.51 148.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.93 -44.05 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 p -91.13 -2.03 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.65 23.29 66.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.83 21.82 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.41 159.93 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.67 161.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.9 147.93 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -146.79 175.04 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.05 133.29 23.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.443 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.0 131.57 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.0 mp -148.39 140.44 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.9 t30 59.7 32.92 21.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.04 69.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -148.07 157.57 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.01 130.11 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.17 86.36 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -92.88 -17.62 23.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -109.88 11.68 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -118.18 69.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.51 -21.81 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.77 -60.89 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.4 -24.45 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.78 -34.75 73.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -74.03 -23.59 59.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.17 -46.85 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -72.18 -29.04 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -65.52 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -67.7 -28.36 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.25 68.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.38 -47.1 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.74 -31.76 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.06 -45.3 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.88 -38.96 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.86 70.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -70.74 -55.88 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.76 -39.44 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.08 -25.61 60.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.42 68.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.25 130.22 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 143.9 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.2 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -100.77 136.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -138.71 170.42 16.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 40.9 mt -93.42 114.75 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.376 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.0 137.51 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -51.85 114.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -176.86 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -35.78 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -77.56 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 m -61.68 -54.6 40.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -51.21 -35.07 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.11 61.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -58.81 -48.18 82.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.48 -35.1 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.98 -12.2 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -101.99 -21.55 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 p -45.03 150.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -73.42 -61.8 1.34 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.921 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 53.9 Cg_endo -69.77 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.87 16.33 21.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 pp -51.16 -30.52 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -56.24 -33.73 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -51.17 -55.71 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.69 -37.75 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -59.99 -53.78 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -59.16 -39.16 81.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.94 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.2 -37.11 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.08 -50.18 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.2 mt -50.93 -55.14 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.57 159.37 3.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -110.99 133.23 53.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.49 172.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -147.91 143.65 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.6 t -103.83 126.73 51.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mm -67.81 139.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.78 -40.75 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -153.0 136.16 15.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.21 -59.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 tp -133.83 153.18 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.742 0.306 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.62 -37.74 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.4 p -91.51 2.45 56.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.99 42.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.02 21.75 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -170.54 160.55 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -151.14 158.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -117.62 136.26 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -135.8 174.56 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.26 131.17 23.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.42 4.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.01 135.7 33.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.5 mp -150.46 134.34 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.13 32.74 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.56 8.91 64.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -138.18 155.9 48.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.05 132.45 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -106.76 94.42 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -106.61 -15.72 14.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -96.32 -52.07 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.62 83.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.57 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -50.0 -46.18 52.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.07 -20.4 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.23 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -63.15 -15.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.88 -40.69 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -79.61 -51.52 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -51.1 -29.76 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -54.09 -27.76 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.86 -29.85 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -67.75 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -74.04 -36.62 64.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -76.53 -31.32 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.7 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.55 -20.51 51.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -66.55 -54.75 20.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.13 -37.94 28.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.25 -25.29 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.32 -11.21 63.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.67 137.11 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 122.66 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.9 t60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.5 m -102.1 132.95 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -138.1 159.73 41.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.58 146.29 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.815 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -140.37 138.31 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -51.73 116.95 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.11 174.55 4.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.62 46.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -45.74 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -56.95 -54.4 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.0 -35.28 33.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -75.9 -33.88 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.31 -49.3 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.98 -28.1 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.95 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -102.38 -2.49 28.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.29 146.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.52 -61.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 53.3 Cg_endo -69.87 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.68 21.33 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.03 -33.82 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.43 -29.77 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -52.93 -54.99 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.76 -42.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.58 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -56.03 -55.38 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -60.56 -44.98 95.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.48 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.76 -41.34 43.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -45.79 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -50.48 -58.78 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -54.1 154.43 7.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.75 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.54 8.9 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -115.47 126.06 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.93 172.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 14.7 p90 -146.67 143.71 28.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -99.33 137.04 38.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mm -85.92 139.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 t -104.01 -45.18 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -154.89 159.12 40.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 -59.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.81 141.38 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.737 0.303 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.95 -39.48 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -85.1 -0.75 55.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.35 24.5 61.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -97.81 22.18 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.803 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -170.46 161.91 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.23 156.19 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.14 138.46 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -153.5 161.48 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.15 140.28 34.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.36 5.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -92.2 139.84 30.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.6 mp -153.11 133.07 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.58 33.04 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.44 17.55 74.57 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -147.27 149.35 32.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mp -57.66 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -110.5 98.04 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 30.2 m95 -110.7 -15.18 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -104.66 -50.32 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 84.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.06 -21.48 65.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -50.67 -58.91 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.26 -21.82 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -69.35 -24.42 63.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.51 -47.15 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 t -66.19 -52.31 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -54.44 -33.31 59.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.52 -25.63 60.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.76 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -66.48 -41.9 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -75.79 -33.91 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -75.97 -32.97 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.55 -43.67 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.57 -19.86 65.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.57 -56.11 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.54 -39.34 67.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt -73.19 -19.36 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.57 -0.22 77.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.23 128.73 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 149.55 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.06 127.69 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -123.42 172.18 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -91.09 123.12 34.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -138.97 144.24 38.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -52.0 117.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 -173.81 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.81 -38.74 82.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -77.43 -45.76 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.8 m -53.39 -54.38 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.44 -35.49 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.94 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -64.05 -48.69 75.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.64 -29.01 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -10.66 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -102.92 5.96 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.08 144.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.02 -60.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 54.3 Cg_endo -69.74 -164.61 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.742 2.295 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.45 23.45 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.48 -36.47 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -52.8 -29.62 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -53.79 -56.17 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.03 -39.45 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -51.89 68.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -59.43 -55.35 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -58.31 -39.2 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.87 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -37.2 19.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.16 -51.29 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -50.36 -55.67 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 159.52 3.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.707 0.765 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.22 134.99 51.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.38 171.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -146.53 147.24 30.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -106.12 130.89 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mm -73.54 139.34 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.02 -44.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -154.08 147.72 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -133.59 -58.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.39 145.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.35 -40.54 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.5 p -87.33 0.7 55.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.97 20.3 40.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.03 22.34 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.2 160.39 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -149.93 163.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.53 138.58 53.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -140.38 174.62 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.81 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.4 4.08 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.21 132.16 36.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.9 mp -149.31 138.32 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 m120 59.48 32.67 21.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.67 18.56 72.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -148.38 154.51 40.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.88 133.3 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -101.89 90.8 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -106.21 -19.87 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.3 -45.24 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.4 84.87 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -21.31 66.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -50.02 -46.9 53.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.79 71.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.52 -33.97 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -74.28 -26.54 60.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.44 -47.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.5 -27.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -63.33 -44.21 95.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.68 -28.08 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.38 -31.75 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.38 -47.06 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.75 -31.48 63.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -75.79 -46.42 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.34 -30.21 50.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.6 -20.01 71.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -80.67 -34.59 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.42 -35.19 27.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.9 mt -90.14 -19.37 24.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.66 -11.52 63.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.23 138.33 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.155 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 125.02 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 m -104.84 133.77 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -138.98 168.11 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.56 109.19 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.811 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.96 0.41 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -139.49 144.31 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.76 116.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.36 -167.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -77.65 -37.34 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -67.57 -54.5 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -51.59 -43.48 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -28.69 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -53.88 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -26.76 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -13.59 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.36 6.88 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.62 148.97 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -74.83 -61.78 1.01 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 53.6 Cg_endo -69.76 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.67 18.12 18.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.37 -35.77 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -29.66 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -52.4 -56.09 17.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.22 -39.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.38 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -58.4 -55.07 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -37.05 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.45 86.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.89 -36.58 17.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.83 -49.54 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 mt -50.84 -53.27 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.54 160.22 2.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.1 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.08 131.9 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.26 169.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.1 p90 -145.25 145.04 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -102.09 131.04 48.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.71 138.8 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.29 -44.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -153.55 144.88 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.61 -57.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 tp -130.35 154.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mp -61.33 -38.14 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -82.75 -1.28 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.3 48.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.75 15.32 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.45 160.31 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -150.04 157.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -110.69 143.48 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -142.71 174.55 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.49 132.92 17.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.736 2.29 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -92.77 132.43 36.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mp -149.4 137.33 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 61.36 32.88 19.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.69 14.23 67.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -143.44 156.78 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.44 133.61 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.24 90.92 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -103.36 -15.48 15.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -101.48 -24.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 85.47 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.68 -21.84 66.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -50.56 -45.78 57.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.62 -65.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -61.32 -17.96 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.86 -47.15 63.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.1 p -79.01 -27.99 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.58 -43.23 93.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -28.19 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 -31.75 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -68.78 -54.26 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.21 -34.75 77.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -76.33 -33.47 59.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.88 99.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.31 -19.76 68.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -47.81 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.05 -38.38 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.07 -24.88 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.74 -13.06 61.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 mp -69.11 136.99 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 138.16 55.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 t60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.2 m -102.35 138.35 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -142.74 167.74 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 21.8 mt -90.01 131.15 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -142.88 149.47 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -51.02 116.53 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.56 -178.46 0.42 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -58.71 -45.18 90.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.462 HD21 ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -77.35 -31.37 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.462 ' N ' HD21 ' A' ' 8' ' ' ASN . 4.7 m -60.83 -55.29 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -51.57 -32.98 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -75.89 -36.69 59.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.43 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.52 -28.29 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.16 60.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -100.48 -0.91 37.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.45 142.79 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.8 tmtt? -70.59 -59.53 3.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.2 Cg_endo -69.81 -164.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.13 23.41 13.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.0 -36.01 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -51.99 -29.71 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -55.43 -56.08 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 t -57.58 -39.74 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.41 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -58.47 -55.38 35.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -42.49 89.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.92 73.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.29 -37.68 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.67 -43.37 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.7 mt -54.81 -57.04 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.42 157.51 4.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.754 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.81 123.62 48.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 168.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 15.4 p90 -145.44 140.89 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.6 t -99.01 125.69 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.27 139.32 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.9 t -106.52 -44.65 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -153.74 150.54 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.36 -59.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.88 144.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mm -60.13 -38.74 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.6 p -95.77 8.43 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.39 24.35 22.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.74 22.03 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -172.59 160.66 4.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.2 157.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.33 149.77 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -145.53 174.15 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.39 133.35 22.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.56 4.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -94.79 134.13 37.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mp -151.06 139.69 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 59.3 33.28 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.15 18.61 69.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -147.51 157.43 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.53 132.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.77 82.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -88.04 -15.74 35.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -108.43 11.44 26.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.09 82.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.11 -21.78 66.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -54.19 -64.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.35 -24.83 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.76 -27.39 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -74.24 -51.68 14.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.92 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.1 t -78.68 -52.53 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 22.6 ttpp -72.55 -26.65 61.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.63 59.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.41 -50.81 23.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.89 -42.17 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 4.1 pt20 -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.98 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.8 74.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -42.45 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.06 -39.81 25.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.34 -23.84 50.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.11 -11.46 65.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.99 137.27 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 142.9 41.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 18.6 t60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.8 m -102.34 135.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.49 166.08 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.61 141.4 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 62.83 38.86 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -54.09 155.15 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -145.22 155.23 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.88 113.27 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.73 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -36.17 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -77.52 -45.26 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -63.39 -54.19 40.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.05 -34.64 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -48.27 23.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.16 -49.34 32.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.98 -31.43 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -9.5 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -6.33 21.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 p -63.78 144.59 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.0 mptt -71.48 -60.5 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.7 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.0 24.2 12.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -56.53 -29.72 62.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -53.39 -56.28 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.89 -37.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -52.02 67.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -59.05 -55.04 40.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -58.49 -43.24 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.86 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -36.95 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.44 -50.99 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -50.55 -55.73 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.64 159.73 3.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.681 0.753 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -109.07 136.81 47.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.34 176.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.6 p90 -155.0 145.31 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -105.05 140.42 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 mm -79.14 138.29 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -108.19 -44.52 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -153.19 143.45 22.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.96 -57.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 tp -130.49 154.3 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.98 120.3 33.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -177.77 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 m -81.7 6.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.81 -22.58 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -73.25 -76.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 t -62.09 -17.29 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.37 -49.03 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -82.96 -6.56 59.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -22.31 28.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 pp -91.27 16.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.31 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.54 -53.85 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.32 -63.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -58.73 104.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.9 p -92.47 -27.0 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -66.72 -34.77 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 mt -92.25 36.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 101.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -170.41 62.99 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 78.02 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' HG13 ' A' ' 67' ' ' ILE . 9.1 p -120.41 34.41 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -23.46 36.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -122.5 -166.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -104.93 -8.07 18.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -51.55 -27.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 62' ' ' SER . 9.7 mm -55.71 -46.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -84.51 -1.05 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.36 27.47 65.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -107.75 22.02 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.95 158.97 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.7 161.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -118.74 139.63 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -139.04 175.04 9.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.78 133.99 20.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.55 4.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.41 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.01 131.51 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -147.79 140.76 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 59.48 33.07 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.48 19.36 68.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.9 157.31 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.68 130.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.91 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -93.73 -18.15 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.44 -25.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.42 69.37 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -22.29 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -51.97 -54.28 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.21 -32.42 74.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.01 -30.47 25.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -69.75 -44.76 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.36 -27.57 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -78.75 -52.41 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.98 -37.98 86.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -54.17 -28.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.2 -44.11 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.7 -34.46 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -76.37 -30.76 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.37 -32.15 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.08 -29.52 66.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -34.39 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.4 -39.65 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.54 -18.29 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.5 -10.07 65.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.43 138.55 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 108.1 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.65 127.72 19.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -164.01 142.62 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.803 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -106.72 170.63 7.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.01 69.05 2.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.15 -27.02 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.18 -33.25 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -53.82 -40.7 66.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -79.45 -28.64 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.94 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 t -52.37 -40.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.59 174.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -83.0 96.07 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.8 -26.72 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -15.96 63.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 63.7 52.46 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.78 -24.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -76.48 -24.77 53.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -77.27 -31.31 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 94.54 34.55 6.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -93.53 167.42 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -95.13 25.65 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -50.98 -53.94 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.97 -12.52 68.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.65 57.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -53.48 120.94 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -100.62 134.45 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.24 164.46 29.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.93 140.22 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.2 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.328 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -52.07 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -83.25 156.32 23.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -145.64 148.25 32.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -54.45 114.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.76 176.64 5.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.22 -37.09 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -78.3 -45.3 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.21 -54.59 45.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -51.21 -35.98 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -32.04 59.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.25 -49.56 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.88 60.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -101.32 -2.86 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.12 143.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.77 -60.35 1.98 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.3 Cg_endo -69.75 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -112.87 17.37 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.82 -33.88 51.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -58.32 -29.86 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -52.46 -55.92 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 t -56.34 -40.24 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -57.01 -55.47 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -59.79 -42.23 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.33 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.49 -38.55 20.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.6 -44.93 9.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.5 -59.61 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.57 159.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.74 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.41 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.25 137.75 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.08 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -161.15 143.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -104.01 141.42 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.5 mm -84.65 138.91 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.36 -45.35 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.3 144.93 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.91 -58.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.31 141.38 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.105 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -93.79 129.45 40.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -176.33 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 m -81.94 3.84 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.3 -24.88 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -74.47 -77.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -59.07 -19.74 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.71 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.61 4.64 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -56.12 -21.76 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -10.05 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.76 39.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -95.11 25.54 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.46 10.22 53.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.0 t -160.03 131.83 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.17 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.3 t -95.1 -25.95 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -85.9 -39.82 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -92.15 36.44 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 145.77 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.07 74.04 80.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -45.88 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.6 p -119.3 49.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -24.3 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -128.69 -169.69 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -7.91 30.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -52.38 -24.54 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.8 mm -54.9 -44.28 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 t -87.93 -1.09 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.35 25.01 64.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -102.47 21.43 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.74 160.07 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -150.82 163.26 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.16 138.87 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -141.92 174.39 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.77 134.52 18.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.66 134.09 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.0 mp -149.11 137.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 t30 61.5 33.13 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.66 11.29 62.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -139.83 159.04 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.89 136.83 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -109.61 99.73 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -113.17 -15.4 12.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.28 -44.06 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.06 83.71 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -52.33 -59.54 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.07 -21.96 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -55.37 -25.81 37.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.12 -47.85 75.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 p -79.77 -28.76 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -59.21 -32.94 70.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -65.99 -27.68 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.72 -32.48 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.53 -47.14 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.54 -31.86 65.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -76.06 -45.4 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.9 -37.68 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.66 -19.67 71.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -69.16 -55.01 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.77 -40.49 61.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.54 -20.16 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.58 -0.2 77.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.05 128.36 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 146.04 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.57 125.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.58 160.73 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -123.42 173.0 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.08 54.01 2.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.96 -24.37 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.46 -26.16 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -57.51 -51.97 67.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -72.59 -24.05 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.95 -23.89 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.046 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.6 t -52.04 -30.19 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 165.43 -77.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.88 136.21 33.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -81.63 95.74 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -87.85 -26.08 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -68.58 -12.55 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.53 58.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.1 mm -66.78 -23.41 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -67.73 -23.21 65.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -73.6 -32.13 63.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 95.53 35.31 5.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.3 t -81.95 160.99 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.355 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.08 23.68 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.33 -43.31 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -107.46 -5.23 34.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.99 -37.46 45.01 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -53.88 122.18 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.3 m -100.2 133.84 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.27 167.76 21.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.5 mt -87.65 108.28 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.799 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -80.9 123.92 28.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.24 153.78 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -142.19 139.36 32.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -53.39 121.32 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.68 -169.12 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -76.39 -44.94 34.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -63.23 -53.24 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.47 -38.81 45.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -36.41 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.69 -50.56 71.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.67 -25.67 56.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -9.43 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.96 -13.2 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 p -56.42 144.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.63 -59.86 2.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.5 Cg_endo -69.79 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.95 16.45 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 pp -52.59 -31.84 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.93 -29.92 67.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -51.42 -55.71 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 t -57.38 -40.12 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -58.09 -55.64 32.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -58.45 -44.04 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.99 68.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -47.88 -39.6 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.4 -45.94 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.2 mt -51.17 -59.6 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.2 157.54 4.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 135.47 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.78 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -163.1 138.02 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -99.13 135.81 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mm -73.56 139.49 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -107.74 -44.63 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -153.43 141.53 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.04 -58.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 tp -131.73 154.96 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -92.49 142.91 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -171.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.31 1.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.02 -29.07 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.31 -75.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.7 p -54.6 -26.36 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.45 -49.36 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -83.33 3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -55.43 -21.89 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -10.07 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.39 -30.22 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -55.87 -54.76 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.26 50.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 t -159.79 116.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -95.11 -41.69 8.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -52.1 -36.64 51.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.18 36.66 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 145.85 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 50.0 59.59 16.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 138.83 38.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.455 ' HA ' HG13 ' A' ' 67' ' ' ILE . 45.3 p -120.42 37.93 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -46.0 24.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 m -55.17 177.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -93.42 -38.65 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -53.62 -21.58 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.455 HG13 ' HA ' ' A' ' 62' ' ' SER . 6.9 mm -54.21 -42.01 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -98.5 3.65 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.34 21.83 60.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -96.24 21.59 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.47 161.72 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.95 161.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.33 143.88 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -142.66 174.8 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.44 21.15 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.72 4.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.2 130.72 37.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.9 mp -147.49 140.92 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 59.53 33.13 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.39 19.08 68.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -148.07 160.51 42.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 130.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.42 90.62 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -99.72 -18.0 17.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -103.15 1.47 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.21 77.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -21.66 66.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.03 -62.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -22.7 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -74.09 -32.47 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.69 -47.07 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.092 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.25 -28.23 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.37 -30.38 71.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -70.95 -28.43 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.82 -51.4 33.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.42 -32.28 73.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -76.28 -44.26 37.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.05 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.07 -19.54 73.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.36 -54.09 33.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.712 0.291 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.24 -23.28 67.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.35 -5.23 73.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 mp -80.79 124.21 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 134.13 55.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.45 126.06 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -156.64 152.45 27.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.68 92.6 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.0 126.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.07 -38.11 10.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -101.09 -26.12 13.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -52.01 -42.13 62.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -79.9 -32.03 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.01 68.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -57.66 -26.96 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.1 -63.58 4.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.12 169.11 10.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -128.73 103.38 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.02 7.41 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -101.1 -10.18 20.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 63.89 57.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -22.02 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -59.89 -21.55 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -60.39 -26.11 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.02 35.5 2.54 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 76.9 p -87.67 -179.56 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -95.73 24.65 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.77 124.09 13.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.97 20.17 74.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -91.11 -44.6 4.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -53.93 125.18 17.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.3 m -102.56 133.38 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -135.24 174.08 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.9 mt -89.18 119.46 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.8 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -56.79 99.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.817 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.2 152.26 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -138.72 146.59 41.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.79 116.67 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.65 176.34 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -37.55 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -78.12 -45.13 24.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -57.29 -54.81 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.09 -34.97 32.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -33.53 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.59 -48.78 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.94 -28.54 60.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.03 -8.38 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -106.75 3.77 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.85 143.72 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -70.5 -60.75 3.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 54.1 Cg_endo -69.74 -164.7 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -113.03 23.48 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.87 -36.46 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -52.28 -29.79 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -52.76 -55.63 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.54 -39.43 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.41 -54.45 46.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -59.2 -41.02 87.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -34.66 75.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -48.86 -40.54 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.68 -47.25 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.5 mt -50.78 -52.75 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -53.85 157.06 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.686 0.755 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.99 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.05 127.61 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.14 166.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 13.1 p90 -145.99 140.47 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -100.36 132.06 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 mm -76.64 139.17 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.8 t -104.2 -45.15 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.57 152.69 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.99 -58.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.03 144.83 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.41 121.35 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -175.84 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -81.38 4.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.94 -24.02 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.76 -74.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -60.72 -18.39 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.3 -53.16 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.01 -9.69 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -51.74 -32.16 29.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 pp -57.79 -24.05 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.88 -16.18 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -50.94 -37.06 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.89 -16.75 1.07 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.434 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.1 t -119.96 117.86 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.317 . . . . 0.0 111.168 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -95.16 -46.23 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -54.2 -32.89 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.13 36.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -64.37 93.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -177.15 62.98 0.2 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 74.9 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -120.59 31.07 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -56.3 -24.44 43.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -118.08 -167.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -5.79 21.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -51.97 -31.42 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.35 -40.94 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.2 p -83.37 -4.41 58.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.18 16.6 49.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -100.82 22.11 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.11 161.59 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.29 160.23 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.75 138.27 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -138.02 173.93 11.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.23 21.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.23 4.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -94.79 118.06 31.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -137.71 142.49 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 62.02 32.92 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.47 15.4 65.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -147.36 165.9 28.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.319 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.77 133.44 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.77 95.7 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -110.41 -15.37 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.92 -39.69 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.53 85.15 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -20.93 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.32 -57.07 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.02 86.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -55.9 -29.54 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -74.31 -24.18 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.38 -47.37 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 p -62.57 -27.87 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.81 -40.86 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -56.56 -28.51 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.21 74.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.64 -54.17 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.37 -31.96 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.93 -30.99 58.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.73 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.59 45.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -73.49 -55.83 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -38.81 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 mt -75.86 -29.5 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.09 -17.51 53.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.8 133.37 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 143.57 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.45 125.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 ttt85 -155.02 158.9 39.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -116.98 172.75 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.0 97.49 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.84 8.98 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.57 -30.3 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -70.98 -37.89 72.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.97 -26.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.55 -25.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -56.93 -45.83 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 152.16 -38.27 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.75 -178.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -77.14 135.29 38.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -56.3 -26.6 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.72 -16.39 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 56.77 60.38 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.1 pp -78.45 -30.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -22.35 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -97.15 -32.15 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.18 35.47 83.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -107.1 168.87 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -90.35 13.02 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -53.48 107.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 107.8 -28.84 11.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.75 -39.73 47.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -53.69 120.78 6.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.21 137.28 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.48 168.56 19.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.68 129.65 34.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtt . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 119.18 31.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -62.68 157.24 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -142.68 145.87 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.74 117.42 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.05 -168.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.489 HD21 ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -78.75 -27.05 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.489 ' N ' HD21 ' A' ' 8' ' ' ASN . 14.0 m -68.75 -56.21 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.43 -35.32 38.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.71 -36.31 57.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -58.15 -49.67 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.01 -27.46 60.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.14 -10.41 59.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.01 0.91 32.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 p -70.99 145.35 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.15 -60.66 2.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 54.3 Cg_endo -69.72 -165.2 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.9 16.4 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.44 -36.15 42.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -53.06 -29.76 31.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -53.21 -55.94 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 t -56.34 -40.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.72 -55.41 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.97 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.18 -38.68 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.8 -45.73 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.7 mt -51.97 -58.97 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.45 158.34 4.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.31 134.47 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.54 177.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -154.21 142.67 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -101.97 137.4 40.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 mm -76.49 139.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.64 -44.77 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.69 141.57 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.95 -58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.95 141.19 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.108 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -96.11 151.58 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -167.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -77.33 2.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.97 -30.63 8.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -79.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.5 p -52.76 -28.2 21.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.99 -50.5 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -85.88 -0.03 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -60.26 -17.93 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -13.57 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.99 -25.38 29.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -73.39 -47.74 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.65 44.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.36 101.93 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -95.36 -45.5 7.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -66.36 -42.68 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.07 36.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -57.18 143.75 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 t0 49.11 59.17 17.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 130.51 19.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.49 -4.13 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -56.97 -35.9 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -176.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -36.45 11.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -51.87 -49.77 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.6 -22.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.0 p -100.72 5.6 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.87 24.9 43.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -103.78 21.76 15.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -173.73 164.44 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.62 160.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.88 142.76 46.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -142.39 174.73 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.27 133.71 18.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.65 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.76 130.31 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -147.34 140.48 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 60.3 32.88 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.43 17.96 69.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -148.13 159.54 43.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.4 132.1 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.2 92.53 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -104.69 -17.35 14.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -92.07 -52.03 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 84.56 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.41 -21.56 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -51.22 -55.85 15.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -56.08 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -72.52 -28.9 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.77 -28.31 50.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.1 t -77.84 -52.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -54.97 -29.83 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -69.58 -27.87 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.07 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.83 -39.66 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -75.24 -34.38 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -76.22 -30.78 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.57 61.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.09 -19.71 57.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -69.35 -53.08 21.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.29 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.1 -37.89 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.83 -20.59 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.45 -4.18 74.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.22 127.79 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 142.09 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.23 125.54 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -153.69 151.7 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -117.49 92.72 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 51.53 88.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -94.78 -24.79 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -87.97 -32.93 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -70.97 -43.15 68.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -55.68 -27.71 51.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.32 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 p -53.36 -36.03 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.89 -59.67 4.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -89.68 142.16 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.83 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -87.83 7.0 32.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.13 -17.01 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 58.97 59.13 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.8 mp -57.58 -26.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -67.53 -21.19 65.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -60.46 -22.28 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.7 35.28 2.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.2 p -88.31 171.91 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.133 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -95.49 23.62 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -51.86 51.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.24 20.41 50.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.43 -43.38 7.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -54.23 123.88 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.2 m -104.84 131.48 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -132.88 173.12 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 tp -94.02 132.45 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 ttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -90.39 -74.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.72 151.14 25.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -137.12 148.67 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.63 116.28 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.75 176.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -40.24 65.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -77.16 -45.78 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -51.02 -52.19 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.65 -37.05 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.77 -29.23 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 28.1 mt-30 -66.23 -49.62 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.03 -28.02 60.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.39 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 p -101.12 -1.25 34.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.44 143.42 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 1.6 mptm? -72.51 -60.12 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.5 Cg_endo -69.75 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.54 20.99 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -56.12 -36.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -52.01 -29.88 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -52.62 -55.36 22.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -56.18 -39.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.75 -55.34 35.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -57.88 -39.82 78.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.01 89.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -37.37 17.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.91 -48.56 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.4 mt -51.7 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 157.71 4.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.694 0.759 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -48.64 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 128.03 54.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -54.71 174.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -149.24 145.54 27.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 t -103.65 133.93 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.7 mm -74.99 139.85 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.29 -44.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -153.96 147.84 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -135.04 -59.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.34 140.41 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.158 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -93.98 111.9 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.66 -171.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -78.86 1.27 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.68 -29.21 10.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -75.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.67 -25.36 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.94 -51.01 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.39 -9.03 58.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.27 -28.67 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pp -98.16 21.02 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.5 -20.63 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -57.64 -58.22 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.44 -71.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -54.02 101.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.0 p -95.72 -37.28 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -58.57 -38.44 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -92.06 36.46 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -81.43 128.5 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.44 63.16 0.13 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.658 0.742 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 64.92 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 p -107.21 28.62 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -24.2 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -122.39 -167.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -99.79 -2.61 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -51.48 -35.43 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mm -61.28 -38.49 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -86.75 0.27 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.57 19.17 40.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -101.89 21.51 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.2 158.93 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.21 163.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -122.03 140.89 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.86 174.99 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.31 132.06 20.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 114.84 3.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.91 131.13 35.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.2 mp -148.21 139.55 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 59.23 33.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 19.29 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -148.32 156.24 42.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.12 135.63 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -104.63 97.35 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -113.25 -16.56 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.19 -41.87 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 89.77 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -21.63 66.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -51.75 -59.85 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.41 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.47 -26.73 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -73.82 -38.29 64.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.97 -33.2 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.6 t -70.17 -52.46 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -63.86 -31.23 72.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -58.77 -28.02 65.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.49 -46.24 70.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -67.91 -36.9 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -76.46 -30.89 57.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.57 -56.17 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.91 59.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.36 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.15 -39.97 24.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.29 -20.23 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.23 -2.16 77.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.29 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 121.33 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.14 118.22 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.29 137.35 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.27 162.66 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.96 93.93 1.86 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.96 -36.98 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -115.81 -25.51 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -51.87 -56.73 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -55.54 -29.42 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.64 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -53.95 -32.79 54.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.0 -88.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.06 169.56 14.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -160.62 100.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -87.81 7.33 31.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.22 -16.52 60.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 63.43 60.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.04 -23.53 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -33.84 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -63.01 -25.75 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.85 34.89 5.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.7 p -83.92 165.1 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -126.83 26.66 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -50.85 -59.91 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -78.97 -12.72 83.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -56.35 -39.85 83.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -53.94 125.45 18.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -106.26 134.54 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -139.8 168.84 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.64 119.04 18.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.781 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 m -60.87 -75.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -84.75 162.78 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.72 146.4 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.17 134.47 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.49 -171.15 43.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -38.39 91.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.15 -45.58 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -55.21 -53.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -50.61 -35.72 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -32.63 59.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.33 -49.34 74.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.92 -27.72 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.16 -10.74 59.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -103.25 -4.79 23.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 p -63.3 143.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.1 mmtp -70.43 -60.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.5 Cg_endo -69.79 -164.9 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.61 21.98 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.66 -35.77 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.73 -29.8 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -55.97 -55.93 26.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.06 -39.06 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.7 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -59.58 -55.22 37.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.26 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.97 -33.43 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.93 -49.46 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -52.39 -55.2 23.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.52 158.89 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.81 177.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 11.5 p90 -155.72 139.47 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -99.52 128.71 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 mm -71.53 139.62 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.84 -45.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -153.59 155.44 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.12 -58.28 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.0 145.57 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -92.13 137.68 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.97 -170.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -79.55 3.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.09 -30.57 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -75.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.7 p -55.69 -24.05 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.68 -45.2 53.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -89.97 1.19 56.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.75 -24.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -11.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.76 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.42 -49.62 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.58 56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -160.02 105.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.144 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.2 t -93.4 -45.25 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.99 -38.05 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mt -92.17 36.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.62 145.93 8.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 50.82 59.66 15.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 140.97 44.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.47 ' HA ' HG13 ' A' ' 67' ' ' ILE . 42.9 p -120.48 38.09 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -46.98 20.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 m -54.86 177.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mptm? -92.8 -38.3 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -53.53 -21.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.47 HG13 ' HA ' ' A' ' 62' ' ' SER . 7.9 mm -54.09 -42.02 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.3 p -93.97 -1.14 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.97 19.42 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -96.8 22.05 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.15 161.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.92 157.31 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.49 144.91 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -145.21 174.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 133.49 21.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.51 0.671 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.31 4.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.85 127.87 39.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -146.22 142.36 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.01 65.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -146.68 162.42 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.07 131.78 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.51 85.61 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -93.68 -15.58 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -106.98 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.27 77.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -56.13 -60.91 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.53 -22.93 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.8 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -58.23 -21.07 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.97 -44.8 25.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -78.97 -29.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -60.77 -47.41 86.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -52.98 -28.48 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.52 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.37 -53.91 36.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.58 -32.2 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -75.89 -30.37 58.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.08 -30.01 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -32.89 64.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -73.0 -34.9 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.42 -40.48 21.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.7 mt -81.45 -14.2 57.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.76 -0.11 78.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.57 132.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 140.75 51.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -169.19 126.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -155.26 170.03 22.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.31 101.48 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.26 78.59 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.82 -24.58 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.84 -30.23 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -53.67 -48.63 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -77.23 -25.33 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.18 -28.28 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -52.12 -37.05 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -109.99 -76.91 0.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.28 -170.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -77.41 162.87 26.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.15 -45.22 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.1 -28.86 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 58.51 57.72 3.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.91 -24.75 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -76.25 -21.54 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -103.16 -32.41 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.14 35.5 92.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.0 t -87.11 168.06 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.192 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -86.3 6.82 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -50.7 107.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 113.15 -35.32 4.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.519 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -52.04 -45.2 56.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -53.57 122.95 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.46 134.02 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.8 158.34 44.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.56 142.26 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.859 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -53.59 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -87.09 164.16 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -150.91 144.67 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.81 131.05 30.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.02 -169.96 28.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.55 94.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.83 -45.31 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -55.78 -53.7 53.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.16 -37.26 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -31.56 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.14 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -22.29 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.08 -10.77 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.95 -7.87 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 p -63.11 142.37 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 17.3 tptt -70.98 -59.12 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.4 Cg_endo -69.75 -164.77 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.733 2.288 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.02 17.02 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 pp -51.57 -36.01 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -29.71 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -51.96 -55.64 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.49 -39.13 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.01 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -60.51 -55.25 35.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -36.11 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.67 -34.85 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -91.31 -51.48 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -51.12 -57.51 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.18 154.81 7.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.12 130.79 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 178.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.74 138.34 15.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -100.17 126.59 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mm -68.14 139.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.0 -44.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.03 146.55 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.78 -57.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 tp -131.33 150.72 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -93.95 122.11 36.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -173.66 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.62 5.8 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.99 -24.64 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -74.51 -76.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 p -59.29 -19.8 49.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.2 -51.08 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.86 -5.37 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.03 25.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 pp -91.07 16.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -52.53 -57.81 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.95 -65.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -55.03 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.125 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -93.01 -34.43 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -55.88 -37.53 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mp -92.31 36.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 109.5 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -174.35 61.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 76.76 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 p -120.08 32.57 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -24.1 51.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -120.45 -167.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.2 -5.85 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -51.48 -32.54 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mm -58.56 -41.1 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -94.79 8.19 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.84 24.1 32.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -102.52 21.78 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -171.22 159.22 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.54 159.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -112.77 143.93 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -142.47 175.05 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.19 132.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 115.22 3.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.74 132.33 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -148.07 140.51 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 59.59 33.11 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.07 66.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -145.48 160.33 41.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.3 127.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.79 84.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -89.83 -16.23 30.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -100.35 -28.84 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 79.74 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.13 -20.46 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -57.87 -65.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.31 -20.04 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.76 -65.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -61.47 -15.89 41.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.34 -38.12 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.3 t -80.25 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -55.76 -29.54 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -54.58 -27.72 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.75 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.22 -41.36 77.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.56 -38.53 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -76.51 -34.69 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.4 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.19 -19.21 56.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -74.45 -56.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.08 -38.18 63.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.5 mt -77.85 -29.11 50.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.58 57.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.8 134.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 135.11 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.0 120.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -161.89 139.26 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.34 161.61 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.08 77.29 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.02 -39.86 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.72 -24.43 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -51.87 -41.79 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -79.48 -26.06 41.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.49 -23.82 53.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.5 m -52.06 -45.37 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -107.15 -88.51 2.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.438 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.42 161.68 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -76.95 95.88 4.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -87.65 -37.21 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -93.05 14.36 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 51.44 43.28 29.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.0 pt -54.59 -27.66 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -61.61 -22.56 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -60.64 -32.28 71.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 94.68 25.74 14.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.2 p -84.02 175.26 9.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -96.7 24.5 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.67 -22.96 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -123.79 24.62 6.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -96.16 -39.4 4.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -54.3 124.74 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 m -103.84 132.16 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -135.92 169.98 16.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.61 139.05 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.835 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -99.39 124.74 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.51 146.11 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -135.55 146.99 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -52.25 115.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.12 -169.96 1.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -36.86 82.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -77.25 -45.1 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -61.51 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -51.69 -41.11 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.28 -28.84 57.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 8.5 mm-40 -63.4 -51.16 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.5 -25.14 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.48 -12.89 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.08 -6.76 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.01 143.05 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.27 -59.9 2.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.2 Cg_endo -69.76 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 17.2 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.9 -35.8 46.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -56.33 -32.51 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -50.86 -45.86 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.91 -37.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -53.33 58.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.64 -48.57 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -62.37 -32.35 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.04 78.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.36 -33.21 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.79 -52.8 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.41 -53.47 36.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.6 p -54.42 154.77 8.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -35.49 12.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.89 155.58 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.01 -177.4 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 7.4 p90 -164.48 137.27 4.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -99.01 131.12 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.34 138.77 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.8 t -105.63 -44.99 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -153.81 137.36 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.16 -58.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.29 143.12 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -93.86 118.02 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.5 -167.66 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -79.07 3.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.52 -28.04 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -73.98 -75.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -56.57 -23.94 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -56.06 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.07 -8.55 56.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -52.31 -32.13 36.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.58 -24.83 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.5 -2.86 40.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -51.71 -34.04 37.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.29 -35.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -124.09 133.95 53.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -93.6 -40.34 10.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -59.87 -40.9 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.18 36.26 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -54.19 101.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.62 67.73 73.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -38.03 8.38 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.5 p -91.87 45.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -23.51 39.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -131.34 -168.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 8.94 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.92 -34.58 42.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mm -59.28 -38.44 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.8 p -90.18 2.81 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.39 60.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.77 21.72 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -172.78 155.45 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.56 161.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -120.99 153.94 36.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -154.25 175.87 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.17 132.15 23.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 115.38 4.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -92.08 130.29 37.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mp -147.0 141.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.18 33.35 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.69 19.41 67.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -147.97 159.55 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.8 130.92 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.17 92.83 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -101.02 -15.49 17.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -113.29 13.73 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -116.8 79.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -21.7 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.39 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.0 -21.84 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -53.7 -52.5 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -61.02 -30.07 70.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -78.07 -27.74 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -65.91 -31.93 73.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -71.75 -27.55 63.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.81 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.1 -44.39 84.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.85 -32.48 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -76.07 -30.89 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.25 -53.29 25.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.11 -19.88 57.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -65.72 -56.06 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.69 -38.93 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.71 -17.32 64.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.46 -1.57 76.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.73 126.04 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 135.67 57.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.21 125.69 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -155.71 143.97 20.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -106.49 142.91 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -76.3 83.3 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 9.01 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.51 -30.61 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.36 -40.77 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.93 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.33 61.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.7 t -57.01 -36.65 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 149.91 78.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -157.56 177.59 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -79.95 115.37 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -61.64 -18.2 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.32 -1.17 39.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 39.65 41.42 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pp -79.99 -22.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.6 52.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -120.91 -33.0 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.4 60.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.2 t -128.78 -174.88 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.17 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -68.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 p30 39.09 42.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 154.06 -30.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.58 -24.04 22.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -53.03 131.98 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.802 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 m -104.86 139.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -145.5 156.61 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.16 132.13 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.834 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 131.96 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -51.77 157.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -142.88 148.8 37.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.29 117.63 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.47 -173.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.69 87.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -77.3 -45.98 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -56.57 -49.84 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.48 -41.22 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -29.06 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.15 -50.96 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.32 -26.51 58.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.75 -11.29 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -1.25 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -69.4 141.38 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 tttt -70.77 -58.91 4.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.548 0.689 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.7 Cg_endo -69.74 -164.96 0.14 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.29 16.96 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.9 -33.78 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -29.78 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -51.98 -56.18 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.37 -38.29 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.63 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -60.18 -55.2 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -38.34 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.23 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -36.56 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.89 -50.77 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -51.13 -57.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -54.31 155.68 6.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.93 147.65 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.51 -178.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.5 p90 -163.82 137.27 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -101.18 128.63 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 mm -63.34 139.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -106.17 -45.54 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -154.32 146.95 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.86 -59.77 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.71 150.16 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -93.38 122.74 36.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -178.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.0 m -81.95 5.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.85 -22.16 10.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.47 -75.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -63.68 -14.9 56.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.4 -46.95 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.32 5.57 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -57.78 -21.76 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.4 5.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.64 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -52.1 -46.06 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 45.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -159.86 102.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 111.107 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.6 t -84.8 -38.2 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -52.25 -39.57 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -92.16 36.41 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -73.55 93.66 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -175.82 62.92 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 73.52 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 p -120.88 31.47 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.95 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 m -118.97 -168.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -103.76 -6.57 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -51.65 -30.97 23.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mm -57.57 -42.67 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.7 p -84.94 -1.99 57.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.61 16.9 46.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.99 21.57 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.57 156.11 15.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.11 155.84 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -107.87 153.79 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -149.26 174.18 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.97 132.47 21.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.313 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.405 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -95.53 127.74 41.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mp -145.85 142.92 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.7 t30 61.64 32.92 18.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.51 15.69 64.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -146.47 165.36 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.75 132.05 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -91.98 -15.86 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -106.17 10.58 31.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.0 77.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -22.59 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.95 -61.64 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.25 -24.9 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -36.52 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -66.14 -26.99 67.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.16 -47.29 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.62 -27.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -36.35 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -73.14 -27.92 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.77 -33.25 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -70.82 -54.25 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.54 -33.62 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -76.17 -43.42 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.66 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.92 -20.02 72.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -68.97 -54.39 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -75.62 -40.7 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.75 -26.23 64.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.3 64.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.6 127.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 113.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.78 123.53 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -168.3 137.59 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.42 92.84 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.25 88.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.13 -44.48 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -115.66 -40.66 3.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.67 -55.94 25.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.69 -27.39 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.41 61.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -52.53 -50.64 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -97.91 -89.12 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.22 -174.25 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -77.18 143.59 38.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -57.8 -28.64 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -90.54 -22.79 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 63.35 49.66 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.5 mm -76.9 -23.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -69.52 -21.26 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -110.9 -32.72 6.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.96 14.3 55.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.8 t -80.37 168.84 18.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -68.08 -11.47 59.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -45.83 105.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.74 -14.18 7.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.36 -46.26 16.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -53.64 118.49 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.0 m -99.2 140.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -145.27 166.65 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mp -82.59 121.06 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.826 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 56.84 43.07 25.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.62 152.87 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -141.33 141.38 33.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -51.98 121.18 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -168.89 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.02 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -77.78 -45.51 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -60.95 -48.22 82.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.94 -43.89 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.2 -29.04 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.52 ' NE2' ' H ' ' A' ' 40' ' ' GLY . 7.0 mm100 -61.01 -53.04 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.28 -32.67 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m -98.78 -22.11 16.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -46.1 143.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 11.9 tptp -71.75 -58.99 3.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.4 Cg_endo -69.79 -165.43 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.254 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.47 15.78 20.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -29.65 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -50.76 -55.77 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.93 -40.57 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.68 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -57.37 -55.49 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -45.8 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.4 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.6 -41.84 43.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.11 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.7 mt -50.88 -59.78 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.31 157.52 4.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -103.08 133.07 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.01 -177.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.72 139.46 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -99.73 140.0 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mm -78.66 136.67 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -45.02 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -154.14 131.97 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.52 ' H ' ' NE2' ' A' ' 12' ' ' GLN . . . -116.42 -58.42 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.1 tp -133.55 152.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.86 127.1 39.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.18 -171.71 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.7 5.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.96 -24.41 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.46 -75.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 p -59.97 -19.0 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.5 -51.64 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -74.06 -12.67 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.53 -31.46 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 pp -64.22 -24.65 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.57 -28.52 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -55.24 -29.44 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.39 35.81 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 p -136.46 101.42 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 111.149 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.34 -34.04 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -88.17 -36.2 16.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.21 36.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 99.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -176.33 63.91 0.22 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.849 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 74.24 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.2 p -120.35 29.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.57 -24.8 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -116.8 -168.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 -5.12 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -51.73 -33.81 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.27 -39.1 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -90.65 1.35 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.29 17.08 45.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -97.2 22.31 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.64 157.45 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.52 163.83 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.86 141.32 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.53 175.0 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.74 134.56 19.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.83 4.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.56 131.46 35.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -148.58 140.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 60.82 32.74 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.71 15.47 66.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 162.01 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.07 135.43 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -107.28 97.9 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -113.47 -16.51 12.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.75 -44.68 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.33 88.51 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.63 -21.28 66.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.77 -54.21 20.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.78 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.63 -25.8 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -74.14 -40.52 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.55 -47.18 56.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.97 -52.46 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -37.31 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -27.1 38.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.26 -29.1 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.56 -40.19 80.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.41 -35.62 60.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -76.41 -34.16 58.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.59 94.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.57 -19.83 73.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -73.42 -46.32 49.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.21 -41.26 22.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.18 -23.17 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.82 -11.9 63.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.58 124.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 131.96 51.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.99 124.82 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -154.48 150.63 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.1 92.91 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.77 120.67 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.7 -25.6 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -103.2 -25.92 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -53.91 -33.1 55.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -77.06 -28.0 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.28 -25.96 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.1 t -86.83 -52.13 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.51 34.1 1.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -118.39 -171.51 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -77.16 108.49 10.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -57.18 -25.06 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.16 -24.44 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.35 37.87 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.51 -26.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -24.32 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -105.74 -32.09 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 75.55 35.48 46.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 t -115.08 166.44 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.333 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -95.35 22.77 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.1 -36.0 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.43 -17.86 20.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.8 -33.89 50.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -53.63 127.48 25.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -105.57 136.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -138.15 167.06 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.52 119.36 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.855 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -52.75 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -88.36 159.27 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -151.43 148.19 27.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -52.44 140.51 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.55 -171.14 47.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.436 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.4 89.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.22 -45.36 26.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 t -52.88 -54.14 38.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -50.61 -34.53 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.21 -33.01 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.92 -48.34 76.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.22 -30.28 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -14.04 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -99.19 -4.09 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.01 143.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -73.23 -59.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.6 Cg_endo -69.75 -165.01 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -111.64 16.45 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.68 -34.37 51.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.91 -29.69 65.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -53.86 -56.47 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.37 -34.74 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.79 64.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -62.4 -50.51 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.47 -32.09 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.29 87.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.49 -33.96 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.93 -50.24 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.17 -55.47 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.6 159.41 3.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -108.33 138.14 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -176.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 6.6 p90 -160.1 141.15 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -100.64 132.83 45.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.99 139.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -104.48 -45.73 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -154.28 151.72 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -135.32 -59.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.27 143.03 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 111.164 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.79 116.34 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -171.69 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -78.84 0.31 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.45 -31.98 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.25 -70.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -59.68 -20.98 59.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.5 -48.57 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -87.19 -4.57 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.97 -44.37 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -96.87 8.41 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.92 -23.73 5.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -48.35 -58.02 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.61 -80.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -49.54 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.157 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t -95.39 -25.41 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -50.59 -42.41 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 36.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 159.52 12.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t0 48.75 58.11 17.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 126.25 13.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.518 ' HA ' HG13 ' A' ' 67' ' ' ILE . 99.7 p -103.56 38.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -78.66 -51.6 9.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -57.65 179.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -93.79 -36.4 12.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -52.96 -21.14 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.518 HG13 ' HA ' ' A' ' 62' ' ' SER . 8.7 mm -53.7 -44.11 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -99.14 7.98 45.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.66 21.51 58.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.25 22.6 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.7 158.43 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -150.6 161.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -119.02 150.67 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -155.42 174.72 14.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.79 135.76 22.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.2 121.0 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.97 141.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 59.73 34.01 21.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.34 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -145.88 159.15 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.02 135.42 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -105.3 98.1 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -113.76 -15.3 12.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -96.91 -52.61 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.14 87.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -21.47 66.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -54.02 -67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -29.26 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -73.63 -41.55 62.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.97 -52.76 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -60.7 -29.86 69.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.51 -28.34 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.74 -30.94 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.46 -50.38 52.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.29 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -76.12 -38.97 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.85 -51.39 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.46 -19.99 28.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -39.62 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.03 -36.98 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 mt -87.9 -19.84 26.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.82 -15.11 58.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.83 136.12 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 125.76 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.92 126.18 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -158.63 150.96 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -113.08 167.88 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.33 98.86 2.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.26 8.95 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.11 -23.87 65.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -67.5 -34.41 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.64 -24.65 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.2 -24.59 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m -54.59 -46.86 73.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 120.41 21.25 3.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.9 -171.61 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -77.89 96.01 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -59.07 -27.26 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -21.44 66.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 57.86 51.29 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 pt -56.92 -23.37 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -71.74 -21.3 61.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -109.14 -28.44 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.32 35.39 87.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -90.84 168.74 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -90.08 12.22 18.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -51.09 115.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 102.9 -30.52 10.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.461 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.11 86.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -53.78 128.01 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.8 137.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -144.3 159.91 41.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.03 137.09 57.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.817 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.807 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -88.06 100.79 13.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.99 163.51 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -149.94 144.23 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -57.25 127.47 32.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 173.87 46.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -50.41 -32.93 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.833 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 4.5 p30 -81.06 -45.97 15.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 m -59.97 -53.38 58.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -49.92 -37.53 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -76.16 -32.51 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -61.78 -49.22 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.25 -29.49 61.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.55 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -107.28 0.7 23.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -65.52 149.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.07 -62.13 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 54.1 Cg_endo -69.74 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -110.5 22.33 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.03 -35.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -52.14 -29.91 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.81 -54.18 49.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.7 -40.27 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.79 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.34 -55.48 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -58.03 -38.86 77.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.42 85.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -34.33 13.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.15 -51.91 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.6 mt -51.21 -54.06 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -59.42 156.34 31.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.13 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.58 137.75 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.16 176.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -149.02 138.29 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -94.67 134.54 37.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mm -85.66 140.52 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -104.44 -45.2 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -154.53 162.9 40.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.07 -58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.54 151.11 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -92.53 147.23 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.21 -170.14 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -81.03 4.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.23 -27.65 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.84 -76.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -25.45 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.79 -54.69 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.24 -7.18 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -33.39 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 pp -55.13 -24.67 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.32 -26.06 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -52.31 -58.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.06 -63.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -51.57 119.45 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.42 -42.63 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -58.41 -38.73 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.65 36.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 150.33 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 t0 49.92 61.55 13.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 137.88 36.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.476 ' HA ' HG13 ' A' ' 67' ' ' ILE . 63.5 p -120.16 43.57 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -51.19 10.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 t -54.55 177.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -92.77 -37.68 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -53.54 -21.51 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.476 HG13 ' HA ' ' A' ' 62' ' ' SER . 9.8 mm -53.09 -39.69 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.98 13.57 20.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.22 29.97 60.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.93 21.5 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -174.59 171.47 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.49 156.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.45 135.96 45.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.64 165.22 30.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.23 137.25 16.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 116.1 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.39 140.11 30.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mp -153.55 134.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.74 33.09 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.64 73.73 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.75 150.7 35.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.09 132.86 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.13 87.64 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -95.37 -19.99 19.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -98.61 -38.98 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.46 78.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.59 -24.15 66.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -51.93 -58.75 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.25 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.78 -44.37 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -53.79 -27.18 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.92 -33.82 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.0 t -79.33 -52.79 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -43.73 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.3 -33.46 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -68.1 -44.04 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.19 -32.61 61.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -76.42 -37.75 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -20.9 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -73.25 -55.86 5.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.91 -38.26 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.84 -15.31 60.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.61 1.18 76.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 mp -79.74 138.38 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.131 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 137.45 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.22 122.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -156.31 142.0 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -104.4 93.05 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.96 137.14 7.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.21 8.34 29.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.66 -39.55 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -51.9 -57.88 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -23.87 60.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.57 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -51.61 -30.61 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -122.48 -31.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -176.37 128.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -115.31 95.94 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -87.73 7.07 31.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -12.08 60.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 63.61 46.96 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.4 pt -56.47 -25.07 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -66.14 -26.05 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -90.11 -29.92 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 77.91 34.52 38.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 t -112.37 160.62 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -97.13 35.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -43.14 -60.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.74 67.83 3.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -46.0 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.6 148.22 25.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.44 125.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.23 169.06 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.54 145.45 30.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.775 0.321 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -113.79 101.78 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -54.42 150.14 9.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -142.76 148.23 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -55.32 119.6 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.33 -174.11 2.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.28 82.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -77.26 -45.21 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.3 -52.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -50.48 -39.82 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -35.29 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -56.28 -51.51 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.68 -26.62 57.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 -6.21 50.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -108.03 3.37 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -70.28 148.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -72.86 -61.96 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.937 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 53.6 Cg_endo -69.76 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -111.65 25.13 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.36 -34.32 75.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -56.34 -29.79 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -54.34 -55.63 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.92 -38.99 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.51 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -60.26 -55.13 37.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.53 -38.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.14 -32.89 10.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.54 -49.63 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.83 -60.43 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.75 160.7 2.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -103.86 152.49 21.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.67 172.63 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.422 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.8 p90 -144.01 140.17 29.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -93.66 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.55 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -104.53 -45.23 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -154.56 154.44 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.82 -58.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 tp -132.52 155.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -92.22 118.09 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -177.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -80.65 4.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.38 -24.64 10.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -73.67 -79.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 t -56.79 -21.98 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.51 -52.09 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.29 2.34 36.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -54.71 -23.39 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -11.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.61 -23.57 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.02 -40.63 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.79 45.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -159.84 116.84 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.309 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 p -95.22 -30.98 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -62.52 -45.9 90.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.3 36.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 151.07 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 49.42 61.25 14.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.54 25.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.372 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.478 ' HA ' HG13 ' A' ' 67' ' ' ILE . 58.2 p -120.36 39.87 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -47.42 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.0 m -54.12 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -92.12 -38.25 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -53.2 -22.57 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.478 HG13 ' HA ' ' A' ' 62' ' ' SER . 6.6 mm -54.88 -40.53 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.1 p -101.51 6.74 42.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.09 27.57 51.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -94.89 22.17 6.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.29 160.09 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.0 162.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.08 138.39 49.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -149.32 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.62 136.88 24.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.733 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.422 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -94.31 138.99 31.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 mp -152.62 134.9 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 59.05 33.04 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.82 18.77 74.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.06 149.22 31.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.62 135.62 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -105.65 92.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -108.19 -18.8 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -96.42 -50.72 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.22 86.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 90' ' ' PHE . 2.2 pt? -65.9 -20.06 66.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.75 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -21.24 60.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 129' ' ' TYR . 1.1 t80 -51.69 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 91' ' ' TRP . 1.6 p90 -62.51 -14.89 46.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.81 -48.99 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 p -81.92 -35.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -39.49 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -53.38 -27.56 24.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.86 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.72 -46.13 76.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.38 -34.93 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.17 -48.23 52.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.65 -28.46 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.64 -26.34 74.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -35.09 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.52 -35.6 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.76 -11.06 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.97 2.43 71.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.8 mp -86.91 124.63 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.79 148.98 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.18 129.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -154.31 153.56 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -116.05 92.88 4.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.11 56.6 2.03 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.59 -17.87 27.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -51.53 -39.92 58.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.5 -35.09 73.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -58.46 -25.32 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.2 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.6 t -78.57 -55.23 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 153.09 -70.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.66 -175.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.25 95.77 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -87.69 -42.49 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.59 -22.09 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 63.35 64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.4 mp -64.57 -39.22 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -25.65 48.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 -72.76 -31.07 64.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.61 35.81 2.36 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 t -78.02 123.14 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 1.8 t80 -129.63 35.76 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.97 -71.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.0 -17.85 45.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 51.54 73.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -152.99 135.21 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 28.1 m -120.11 124.86 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -119.04 165.86 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 mp -87.64 105.23 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -102.69 103.82 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -51.99 155.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -135.88 144.57 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -51.86 111.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.41 -168.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -37.61 86.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -77.45 -41.4 39.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -66.23 -53.11 40.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -51.44 -42.57 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.93 -28.9 58.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 4.9 mt-30 -62.62 -52.38 63.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.24 -24.83 57.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.05 -9.52 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.44 -7.19 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -62.51 142.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -71.19 -59.76 3.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.8 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.73 16.39 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.87 -31.5 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.17 -29.9 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -52.24 -55.99 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 t -56.95 -39.79 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.75 68.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -57.51 -55.46 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -59.52 -41.81 90.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.07 -41.67 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -38.15 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.91 -45.19 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.16 -58.05 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.64 159.47 3.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.57 138.19 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.63 171.04 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 9.3 p90 -148.15 145.02 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -105.74 127.24 52.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.24 140.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.79 -45.66 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -154.3 147.0 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -132.55 -59.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.51 148.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -92.87 117.4 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -179.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -78.4 0.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.13 -29.43 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -75.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 p -57.52 -23.02 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.35 -56.56 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -4.12 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -55.38 -25.46 35.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.418 ' C ' ' CD1' ' A' ' 51' ' ' ILE . 1.5 pp -98.56 23.71 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.68 -22.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -46.79 -51.38 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.5 -80.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -46.99 108.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.5 -25.62 15.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -75.5 -32.09 60.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.8 37.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 97.57 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 0.6 OUTLIER 177.5 56.35 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.74 91.12 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.542 ' HA ' HG13 ' A' ' 67' ' ' ILE . 62.6 p -92.31 37.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -79.12 -51.58 9.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -59.7 -178.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -94.74 -36.0 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -52.55 -21.52 3.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.542 HG13 ' HA ' ' A' ' 62' ' ' SER . 6.7 mm -53.93 -44.05 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 p -91.13 -2.03 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.65 23.29 66.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.83 21.82 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.41 159.93 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.67 161.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.9 147.93 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -146.79 175.04 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.05 133.29 23.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.443 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.0 131.57 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.0 mp -148.39 140.44 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.9 t30 59.7 32.92 21.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.04 69.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -148.07 157.57 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.01 130.11 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.17 86.36 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -92.88 -17.62 23.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -109.88 11.68 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -118.18 69.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.51 -21.81 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.77 -60.89 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.4 -24.45 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.78 -34.75 73.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -74.03 -23.59 59.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.17 -46.85 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -72.18 -29.04 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -65.52 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -67.7 -28.36 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.25 68.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.38 -47.1 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.74 -31.76 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.06 -45.3 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.88 -38.96 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.86 70.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -70.74 -55.88 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.76 -39.44 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.08 -25.61 60.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.42 68.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.25 130.22 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 143.9 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.27 125.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -157.15 141.26 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.05 173.15 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -89.31 77.05 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.42 -19.72 15.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -52.05 -30.01 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -55.61 -59.08 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -23.91 67.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.8 -25.11 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 t -52.07 -44.44 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 172.37 -71.63 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.52 173.47 12.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.17 95.76 5.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -87.71 7.16 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.89 -25.39 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.8 63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 9.2 mm -71.97 -54.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -24.32 52.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -75.91 -31.56 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.64 35.32 62.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 t -97.19 169.54 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.21 24.8 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.8 111.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.8 -24.26 24.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.44 -42.45 50.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -53.73 124.32 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -100.77 136.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -138.71 170.42 16.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 40.9 mt -93.42 114.75 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.849 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 p -160.53 121.09 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -51.93 159.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.0 137.51 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -51.85 114.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -176.86 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -35.78 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -77.56 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 m -61.68 -54.6 40.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -51.21 -35.07 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.11 61.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -58.81 -48.18 82.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.48 -35.1 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.98 -12.2 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -101.99 -21.55 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 p -45.03 150.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -73.42 -61.8 1.34 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.921 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 53.9 Cg_endo -69.77 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.87 16.33 21.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 pp -51.16 -30.52 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -56.24 -33.73 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -51.17 -55.71 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.69 -37.75 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -59.99 -53.78 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -59.16 -39.16 81.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.94 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.2 -37.11 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.08 -50.18 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.2 mt -50.93 -55.14 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.57 159.37 3.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -110.99 133.23 53.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.49 172.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -147.91 143.65 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.6 t -103.83 126.73 51.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mm -67.81 139.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.78 -40.75 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -153.0 136.16 15.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.21 -59.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 tp -133.83 153.18 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HD3' ' HB3' ' A' ' 46' ' ' GLN . 14.7 mmp_? -97.41 130.02 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.38 -178.45 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -77.22 -0.04 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.51 -25.81 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 17.4 tp60 -77.47 -69.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 p -63.23 -14.79 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.88 -53.45 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -70.16 -13.44 62.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -32.31 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.48 -30.85 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.76 -8.04 53.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.99 -54.53 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.55 -36.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -114.41 124.6 52.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -94.45 -36.77 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.88 -33.7 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.22 36.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 94.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.58 63.11 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 63.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.327 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.7 p -121.03 36.37 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.65 -24.46 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.72 -167.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -95.73 3.77 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -51.32 -37.62 48.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.62 -37.74 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.4 p -91.51 2.45 56.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.99 42.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.02 21.75 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -170.54 160.55 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -151.14 158.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -117.62 136.26 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -135.8 174.56 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.26 131.17 23.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.42 4.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.01 135.7 33.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.5 mp -150.46 134.34 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.13 32.74 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.56 8.91 64.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -138.18 155.9 48.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.05 132.45 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -106.76 94.42 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -106.61 -15.72 14.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -96.32 -52.07 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.62 83.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.57 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -50.0 -46.18 52.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.07 -20.4 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.23 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -63.15 -15.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.88 -40.69 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -79.61 -51.52 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -51.1 -29.76 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -54.09 -27.76 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.86 -29.85 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -67.75 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -74.04 -36.62 64.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -76.53 -31.32 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.7 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.55 -20.51 51.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -66.55 -54.75 20.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.13 -37.94 28.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.25 -25.29 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.32 -11.21 63.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.67 137.11 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 122.66 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.2 117.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -162.64 139.45 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.36 160.37 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.35 99.28 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.32 -24.89 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -109.51 -19.98 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -56.76 -27.92 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.21 56.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -51.91 -46.36 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.84 -72.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.12 153.96 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -78.87 95.9 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.61 -39.8 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.72 -24.26 56.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 63.27 64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mp -69.13 -28.82 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -27.52 56.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpp85 -84.16 -31.72 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.97 34.9 83.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 30.5 p -96.99 -172.27 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.67 25.12 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.82 112.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.08 -21.44 37.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.95 -43.07 71.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -53.72 123.03 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.5 m -102.1 132.95 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -138.1 159.73 41.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.58 146.29 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.815 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -68.35 99.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -50.99 152.46 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -140.37 138.31 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -51.73 116.95 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.11 174.55 4.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.62 46.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -45.74 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -56.95 -54.4 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.0 -35.28 33.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -75.9 -33.88 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.31 -49.3 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.98 -28.1 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.95 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -102.38 -2.49 28.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.29 146.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.52 -61.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 53.3 Cg_endo -69.87 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.68 21.33 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.03 -33.82 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.43 -29.77 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -52.93 -54.99 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.76 -42.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.58 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -56.03 -55.38 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -60.56 -44.98 95.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.48 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.76 -41.34 43.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -45.79 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -50.48 -58.78 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -54.1 154.43 7.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.75 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.54 8.9 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -115.47 126.06 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.93 172.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 14.7 p90 -146.67 143.71 28.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -99.33 137.04 38.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mm -85.92 139.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 t -104.01 -45.18 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -154.89 159.12 40.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 -59.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.81 141.38 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.35 113.36 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.76 -172.63 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -78.52 0.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.67 -29.23 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -75.04 -72.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -55.14 -24.41 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.83 -50.02 13.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.4 -9.85 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.37 -29.02 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pp -97.75 20.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.1 -18.84 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -58.44 -58.62 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.56 -71.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -53.72 101.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 t -96.25 -26.32 15.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -64.36 -38.84 92.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.08 36.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 121.09 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -179.64 60.38 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 73.15 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -120.27 23.7 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -56.7 -23.69 43.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -112.14 -163.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 -6.09 15.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -51.74 -33.54 35.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.95 -39.48 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -85.1 -0.75 55.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.35 24.5 61.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -97.81 22.18 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.803 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -170.46 161.91 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.23 156.19 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.14 138.46 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -153.5 161.48 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.15 140.28 34.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.36 5.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -92.2 139.84 30.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.6 mp -153.11 133.07 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.58 33.04 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.44 17.55 74.57 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -147.27 149.35 32.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mp -57.66 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -110.5 98.04 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 30.2 m95 -110.7 -15.18 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -104.66 -50.32 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 84.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.06 -21.48 65.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -50.67 -58.91 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.26 -21.82 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -69.35 -24.42 63.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.51 -47.15 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 t -66.19 -52.31 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -54.44 -33.31 59.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.52 -25.63 60.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.76 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -66.48 -41.9 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -75.79 -33.91 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -75.97 -32.97 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.55 -43.67 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.57 -19.86 65.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.57 -56.11 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.54 -39.34 67.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt -73.19 -19.36 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.57 -0.22 77.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.23 128.73 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 149.55 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.24 125.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -151.58 147.53 26.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -110.64 95.71 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.65 71.47 0.99 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.22 -21.89 14.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.82 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -70.93 -32.21 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -64.45 -25.42 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.06 -32.91 49.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.8 p -57.15 -34.25 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.6 90.38 0.64 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -171.16 -178.7 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -77.54 118.47 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -72.11 -9.93 59.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.65 -0.36 42.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 39.41 41.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.7 pp -61.63 -23.24 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -34.75 35.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -114.37 -32.29 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.46 17.36 68.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 t -129.57 146.55 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.72 -35.63 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t0 64.24 19.48 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 161.12 -70.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.95 82.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -154.3 145.95 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.06 127.69 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -123.42 172.18 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -91.09 123.12 34.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -113.86 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -78.83 151.51 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -138.97 144.24 38.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -52.0 117.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 -173.81 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.81 -38.74 82.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -77.43 -45.76 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.8 m -53.39 -54.38 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.44 -35.49 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.94 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -64.05 -48.69 75.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.64 -29.01 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -10.66 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -102.92 5.96 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.08 144.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.02 -60.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 54.3 Cg_endo -69.74 -164.61 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.742 2.295 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.45 23.45 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.48 -36.47 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -52.8 -29.62 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -53.79 -56.17 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.03 -39.45 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -51.89 68.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -59.43 -55.35 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -58.31 -39.2 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.87 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -37.2 19.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.16 -51.29 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -50.36 -55.67 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 159.52 3.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.707 0.765 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.22 134.99 51.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.38 171.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -146.53 147.24 30.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -106.12 130.89 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mm -73.54 139.34 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.02 -44.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -154.08 147.72 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -133.59 -58.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.39 145.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -92.84 126.79 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -176.99 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 m -82.63 5.58 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.82 -22.89 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.83 -75.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -62.4 -16.08 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 -50.14 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -88.61 3.96 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -56.34 -21.55 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -10.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -14.59 61.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.58 37.95 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 p -144.45 103.46 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -29.51 14.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -88.15 -35.28 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.52 36.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 96.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.55 65.29 0.22 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 68.9 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 p -120.66 30.41 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -56.38 -24.34 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.86 -168.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.71 -5.27 23.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -51.54 -32.54 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.35 -40.54 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.5 p -87.33 0.7 55.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.97 20.3 40.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.03 22.34 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.2 160.39 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -149.93 163.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.53 138.58 53.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -140.38 174.62 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.81 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.4 4.08 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.21 132.16 36.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.9 mp -149.31 138.32 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 m120 59.48 32.67 21.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.67 18.56 72.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -148.38 154.51 40.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.88 133.3 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -101.89 90.8 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -106.21 -19.87 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.3 -45.24 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.4 84.87 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -21.31 66.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -50.02 -46.9 53.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.79 71.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.52 -33.97 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -74.28 -26.54 60.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.44 -47.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.5 -27.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -63.33 -44.21 95.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.68 -28.08 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.38 -31.75 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.38 -47.06 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.75 -31.48 63.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -75.79 -46.42 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.34 -30.21 50.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.6 -20.01 71.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -80.67 -34.59 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.42 -35.19 27.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.9 mt -90.14 -19.37 24.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.66 -11.52 63.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.23 138.33 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.155 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 125.02 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.87 120.32 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -165.12 145.18 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.12 145.13 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 51.6 49.75 45.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.7 -36.23 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.81 -56.82 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -64.06 -48.7 75.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -52.74 -35.31 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.14 -27.0 42.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.2 p -79.67 -42.41 24.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 140.61 -57.15 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.4 165.38 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -134.07 96.49 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.03 4.84 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.67 -10.97 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.67 59.85 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.1 pt -80.12 -41.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -81.71 -16.92 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.54 35.44 3.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.6 p -119.91 157.4 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -96.33 25.1 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -51.04 -56.2 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -89.86 15.48 59.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.11 -38.93 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -53.78 122.89 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 m -104.84 133.77 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -138.98 168.11 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.56 109.19 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.811 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.12 157.23 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -52.45 151.54 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -139.49 144.31 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.76 116.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.36 -167.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -77.65 -37.34 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -67.57 -54.5 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -51.59 -43.48 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -28.69 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -53.88 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -26.76 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -13.59 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.36 6.88 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.62 148.97 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -74.83 -61.78 1.01 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 17' ' ' LYS . 53.6 Cg_endo -69.76 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.67 18.12 18.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.37 -35.77 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -29.66 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -52.4 -56.09 17.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.22 -39.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.38 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -58.4 -55.07 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -37.05 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.45 86.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.89 -36.58 17.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.83 -49.54 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 mt -50.84 -53.27 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.54 160.22 2.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.1 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.08 131.9 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.26 169.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.1 p90 -145.25 145.04 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -102.09 131.04 48.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.71 138.8 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.29 -44.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -153.55 144.88 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.61 -57.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 tp -130.35 154.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -93.01 129.52 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.31 178.31 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 m -81.53 4.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.57 -21.92 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -73.34 -81.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.5 p -59.47 -18.81 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.08 -53.57 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.11 4.36 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -21.82 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -8.3 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.51 45.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -96.21 -48.26 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.16 -25.54 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.435 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -131.77 146.61 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 m -92.73 -26.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -56.68 -36.58 69.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -92.23 36.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -83.28 93.52 7.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.88 62.24 0.17 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -30.65 21.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 p -61.81 -13.36 23.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -22.47 13.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.35 -165.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -109.85 -34.36 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -50.79 -41.66 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mp -61.33 -38.14 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -82.75 -1.28 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.3 48.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.75 15.32 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.45 160.31 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -150.04 157.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -110.69 143.48 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -142.71 174.55 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.49 132.92 17.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.736 2.29 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -92.77 132.43 36.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mp -149.4 137.33 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 61.36 32.88 19.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.69 14.23 67.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -143.44 156.78 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.44 133.61 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.24 90.92 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -103.36 -15.48 15.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -101.48 -24.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 85.47 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.68 -21.84 66.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -50.56 -45.78 57.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.62 -65.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -61.32 -17.96 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.86 -47.15 63.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.1 p -79.01 -27.99 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.58 -43.23 93.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -28.19 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 -31.75 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -68.78 -54.26 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.21 -34.75 77.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -76.33 -33.47 59.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.88 99.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.31 -19.76 68.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -47.81 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.05 -38.38 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.07 -24.88 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.74 -13.06 61.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 mp -69.11 136.99 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 138.16 55.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.71 122.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -165.04 135.64 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.31 173.1 16.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.27 79.38 0.65 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.38 -44.95 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 -20.32 10.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -51.93 -35.24 45.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -78.77 -29.14 44.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.57 -20.8 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -52.09 -29.95 23.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -157.41 -85.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -119.95 162.49 19.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -109.43 95.42 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -1.18 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -82.0 -0.79 45.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.57 47.58 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.34 -32.45 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -21.46 63.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.01 35.53 5.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -89.66 165.62 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -79.64 -2.36 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.72 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.49 -13.31 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -85.93 -41.42 7.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -53.45 119.82 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.2 m -102.35 138.35 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -142.74 167.74 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 21.8 mt -90.01 131.15 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -85.07 -68.58 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -71.91 160.52 32.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -142.88 149.47 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -51.02 116.53 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.56 -178.46 0.42 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -58.71 -45.18 90.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.462 HD21 ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -77.35 -31.37 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.462 ' N ' HD21 ' A' ' 8' ' ' ASN . 4.7 m -60.83 -55.29 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -51.57 -32.98 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -75.89 -36.69 59.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.43 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.52 -28.29 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.16 60.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -100.48 -0.91 37.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.45 142.79 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.8 tmtt? -70.59 -59.53 3.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 53.2 Cg_endo -69.81 -164.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.13 23.41 13.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.0 -36.01 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -51.99 -29.71 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -55.43 -56.08 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 t -57.58 -39.74 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.41 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -58.47 -55.38 35.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -42.49 89.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.92 73.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.29 -37.68 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.67 -43.37 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.7 mt -54.81 -57.04 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.42 157.51 4.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.754 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.81 123.62 48.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 168.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 15.4 p90 -145.44 140.89 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.6 t -99.01 125.69 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.27 139.32 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.9 t -106.52 -44.65 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -153.74 150.54 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.36 -59.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.88 144.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.38 151.37 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 -169.1 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 9.3 p -81.61 9.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.64 -28.91 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.73 -78.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -62.19 -15.9 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 44' ' ' VAL . . . -86.33 -52.98 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 6.34 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -22.82 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -9.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.77 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -52.24 -39.7 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.35 41.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -159.62 103.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.322 . . . . 0.0 111.129 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.8 p -94.61 -40.28 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -52.28 -43.09 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.14 36.33 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -65.31 96.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -177.24 63.87 0.2 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 64.74 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -111.61 28.87 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -56.53 -24.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -120.41 -167.3 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -101.19 -2.98 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -51.55 -35.42 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mm -60.13 -38.74 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.6 p -95.77 8.43 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.39 24.35 22.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.74 22.03 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -172.59 160.66 4.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.2 157.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.33 149.77 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -145.53 174.15 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.39 133.35 22.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.56 4.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -94.79 134.13 37.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mp -151.06 139.69 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 59.3 33.28 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.15 18.61 69.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -147.51 157.43 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.53 132.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.77 82.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -88.04 -15.74 35.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -108.43 11.44 26.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.09 82.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.11 -21.78 66.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -54.19 -64.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.35 -24.83 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.76 -27.39 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -74.24 -51.68 14.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.92 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.1 t -78.68 -52.53 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 22.6 ttpp -72.55 -26.65 61.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.63 59.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.41 -50.81 23.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.89 -42.17 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 4.1 pt20 -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.98 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.8 74.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -42.45 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.06 -39.81 25.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.34 -23.84 50.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.11 -11.46 65.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.99 137.27 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 142.9 41.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.23 124.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -160.17 136.13 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -102.19 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.74 126.18 28.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.92 8.92 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.06 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.13 -59.24 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -71.14 -31.54 67.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -57.29 -23.81 50.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.94 62.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -87.07 2.22 50.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.09 -103.49 0.27 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -179.65 118.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -161.18 99.47 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.14 -7.79 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -75.0 -27.27 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 61.23 54.44 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 9.7 mm -80.69 -23.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -39.11 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -97.56 -33.63 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.38 35.51 92.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.2 t -143.36 176.48 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -62.64 -14.78 47.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.71 105.81 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.88 -23.02 5.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.09 -36.89 60.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -53.57 119.47 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.8 m -102.34 135.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.49 166.08 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.61 141.4 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 179.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.604 ' O ' HD21 ' A' ' 28' ' ' LEU . 8.0 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -145.22 155.23 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.88 113.27 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.73 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -36.17 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -77.52 -45.26 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -63.39 -54.19 40.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.05 -34.64 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -48.27 23.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.16 -49.34 32.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -74.98 -31.43 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -9.5 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -6.33 21.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -63.78 144.59 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.0 mptt -71.48 -60.5 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.78 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.0 24.2 12.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.729 ' HB3' HD11 ' A' ' 136' ' ' LEU . 2.8 pp -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -56.53 -29.72 62.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -53.39 -56.28 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.6 t -55.89 -37.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -52.02 67.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -59.05 -55.04 40.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.599 ' CD ' HD21 ' A' ' 104' ' ' LEU . 16.8 ttm-85 -58.49 -43.24 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.86 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.604 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.6 OUTLIER -49.02 -36.95 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.44 -50.99 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -50.55 -55.73 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.64 159.73 3.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.681 0.753 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.57 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 54.2 Cg_endo -69.8 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 1.4 m-85 -109.07 136.81 47.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.34 176.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.6 p90 -155.0 145.31 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -105.05 140.42 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 mm -79.14 138.29 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -108.19 -44.52 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -153.19 143.45 22.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -130.96 -57.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 tp -130.49 154.3 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.7 mm -55.71 -46.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -84.51 -1.05 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.36 27.47 65.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -107.75 22.02 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -163.95 158.97 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.533 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.7 161.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -118.74 139.63 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -139.04 175.04 9.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.78 133.99 20.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.55 4.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.499 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.01 131.51 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.1 mp -147.79 140.76 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 59.48 33.07 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.48 19.36 68.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.9 157.31 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.68 130.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.429 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.3 m-20 -108.91 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -93.73 -18.15 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.44 -25.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.42 69.37 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -22.29 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -51.97 -54.28 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -64.21 -32.42 74.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.01 -30.47 25.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -69.75 -44.76 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -71.36 -27.57 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -78.75 -52.41 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.98 -37.98 86.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -54.17 -28.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.2 -44.11 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.7 -34.46 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -76.37 -30.76 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -75.37 -32.15 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.08 -29.52 66.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -34.39 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.4 -39.65 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 100' ' ' ALA . 4.8 mt -82.54 -18.29 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.5 -10.07 65.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.528 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.2 mp -63.43 138.55 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 108.1 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.491 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 19.1 t60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -100.62 134.45 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 10.8 pt-20 -139.24 164.46 29.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.0 mp -76.93 140.22 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.847 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.948 0.404 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -145.64 148.25 32.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 28' ' ' LEU . 7.8 m-85 -54.45 114.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.76 176.64 5.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.22 -37.09 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -78.3 -45.3 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.21 -54.59 45.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -51.21 -35.98 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.1 OUTLIER -75.76 -32.04 59.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.25 -49.56 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.88 60.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.424 HG21 ' HE3' ' A' ' 11' ' ' LYS . 1.1 p -101.32 -2.86 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.5 p -67.12 143.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.77 -60.35 1.98 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.708 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.3 Cg_endo -69.75 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -112.87 17.37 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 18' ' ' PRO . 2.9 pp -52.82 -33.88 51.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -58.32 -29.86 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HD3' HD11 ' A' ' 106' ' ' ILE . 24.5 mtpp -52.46 -55.92 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.586 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.3 t -56.34 -40.24 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -57.01 -55.47 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.58 ' HD2' HD21 ' A' ' 104' ' ' LEU . 30.9 ttm-85 -59.79 -42.23 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.33 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -48.49 -38.55 20.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.6 -44.93 9.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.5 -59.61 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.606 ' CB ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -54.57 159.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.879 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.74 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.41 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.552 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -105.25 137.75 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.08 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -161.15 143.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -104.01 141.42 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.404 HG21 HD21 ' A' ' 13' ' ' LEU . 7.5 mm -84.65 138.91 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.36 -45.35 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.3 144.93 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -129.91 -58.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.31 141.38 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.105 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.8 mm -54.9 -44.28 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 t -87.93 -1.09 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.35 25.01 64.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -102.47 21.43 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -167.74 160.07 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -150.82 163.26 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.16 138.87 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -141.92 174.39 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.77 134.52 18.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.574 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -90.66 134.09 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.615 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.0 mp -149.11 137.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 t30 61.5 33.13 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.66 11.29 62.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -139.83 159.04 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.89 136.83 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.615 ' CB ' HD13 ' A' ' 78' ' ' ILE . 17.9 t0 -109.61 99.73 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -113.17 -15.4 12.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.28 -44.06 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.06 83.71 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -52.33 -59.54 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -63.07 -21.96 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -55.37 -25.81 37.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -65.12 -47.85 75.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.606 HG23 ' CB ' ' A' ' 31' ' ' SER . 4.7 p -79.77 -28.76 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -59.21 -32.94 70.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -65.99 -27.68 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.72 -32.48 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.53 -47.14 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.54 -31.86 65.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -76.06 -45.4 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.563 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.9 -37.68 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.66 -19.67 71.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -69.16 -55.01 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.77 -40.49 61.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' A' ' 26' ' ' ARG . 11.0 mt -69.54 -20.16 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.58 -0.2 77.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.586 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.7 mp -85.05 128.36 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 146.04 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 21.2 t60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.3 m -100.2 133.84 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.522 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -138.27 167.76 21.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 18' ' ' PRO . 39.5 mt -87.65 108.28 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.799 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.2 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -142.19 139.36 32.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -53.39 121.32 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.68 -169.12 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.39 -44.94 34.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -63.23 -53.24 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.47 -38.81 45.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -36.41 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.69 -50.56 71.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 mm? -75.67 -25.67 56.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -9.43 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.96 -13.2 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.769 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.1 p -56.42 144.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.63 -59.86 2.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.769 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.79 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.95 16.45 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.7 pp -52.59 -31.84 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.93 -29.92 67.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HD3' HD11 ' A' ' 106' ' ' ILE . 17.5 mtpt -51.42 -55.71 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.596 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.9 t -57.38 -40.12 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -58.09 -55.64 32.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.639 ' CD ' HD21 ' A' ' 104' ' ' LEU . 11.6 ttt180 -58.45 -44.04 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.99 68.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -47.88 -39.6 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.4 -45.94 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.2 mt -51.17 -59.6 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.2 157.54 4.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -103.51 135.47 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.78 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 7.8 p90 -163.1 138.02 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -99.13 135.81 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mm -73.56 139.49 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -107.74 -44.63 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -153.43 141.53 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -126.04 -58.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 16' ' ' VAL . 2.8 tp -131.73 154.96 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.9 mm -54.21 -42.01 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 70' ' ' ASP . 4.3 t -98.5 3.65 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.34 21.83 60.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.642 ' OD1' HD12 ' A' ' 136' ' ' LEU . 1.2 t0 -96.24 21.59 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -169.47 161.72 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.48 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -150.95 161.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.33 143.88 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -142.66 174.8 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.44 21.15 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.72 4.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.457 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.2 130.72 37.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.457 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.9 mp -147.49 140.92 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.53 33.13 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.39 19.08 68.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -148.07 160.51 42.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 130.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.42 90.62 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -99.72 -18.0 17.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -103.15 1.47 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.21 77.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -66.26 -21.66 66.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.03 -62.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -22.7 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -74.09 -32.47 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -67.69 -47.07 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.25 -28.23 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.37 -30.38 71.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -70.95 -28.43 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.82 -51.4 33.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.42 -32.28 73.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -76.28 -44.26 37.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.542 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.88 -37.05 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.07 -19.54 73.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.36 -54.09 33.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.712 0.291 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.639 HD21 ' CD ' ' A' ' 26' ' ' ARG . 14.5 mt -65.24 -23.28 67.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.35 -5.23 73.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.596 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.1 mp -80.79 124.21 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.466 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.38 134.13 55.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.469 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 48.8 t60 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.3 m -102.56 133.38 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.5 pt-20 -135.24 174.08 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.642 HD12 ' OD1' ' A' ' 70' ' ' ASP . 12.9 mt -89.18 119.46 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.8 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.944 0.402 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HA ' HD21 ' A' ' 28' ' ' LEU . 8.5 tptt -138.72 146.59 41.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.79 116.67 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.65 176.34 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -37.55 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -78.12 -45.13 24.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -57.29 -54.81 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.09 -34.97 32.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -33.53 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.59 -48.78 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -74.94 -28.54 60.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.03 -8.38 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.402 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.6 p -106.75 3.77 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.771 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.3 p -72.85 143.72 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -70.5 -60.75 3.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.1 Cg_endo -69.74 -164.7 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -113.03 23.48 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.637 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.2 pp -57.87 -36.46 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -52.28 -29.79 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -52.76 -55.63 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.696 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.6 t -58.54 -39.43 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.41 -54.45 46.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HD2' HD21 ' A' ' 104' ' ' LEU . 1.1 tpm_? -59.2 -41.02 87.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -34.66 75.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 4' ' ' LYS . 6.4 tp -48.86 -40.54 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.68 -47.25 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HG2' ' A' ' 26' ' ' ARG . 77.5 mt -50.78 -52.75 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -53.85 157.06 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.686 0.755 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.99 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.602 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -112.05 127.61 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.14 166.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 13.1 p90 -145.99 140.47 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -100.36 132.06 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.417 HG21 HD21 ' A' ' 13' ' ' LEU . 6.9 mm -76.64 139.17 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.8 t -104.2 -45.15 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.57 152.69 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.561 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -137.99 -58.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.405 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -132.03 144.83 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.35 -40.94 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.2 p -83.37 -4.41 58.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.405 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 61.18 16.6 49.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.41 ' HA ' HD23 ' A' ' 136' ' ' LEU . 1.6 p-10 -100.82 22.11 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.533 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -166.11 161.59 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.561 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.29 160.23 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.75 138.27 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -138.02 173.93 11.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.23 21.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HB3' HG11 ' A' ' 93' ' ' VAL . 53.9 Cg_endo -69.77 116.23 4.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.494 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -94.79 118.06 31.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -137.71 142.49 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 62.02 32.92 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.47 15.4 65.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -147.36 165.9 28.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.319 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.77 133.44 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.77 95.7 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -110.41 -15.37 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.92 -39.69 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.53 85.15 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.616 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.6 -20.93 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.32 -57.07 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.02 86.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -55.9 -29.54 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -74.31 -24.18 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.602 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.38 -47.37 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.479 HG11 ' HB3' ' A' ' 76' ' ' PRO . 2.9 p -62.57 -27.87 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.81 -40.86 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -56.56 -28.51 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.21 74.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.64 -54.17 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.37 -31.96 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.93 -30.99 58.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.642 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -67.52 -46.73 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.59 45.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -73.49 -55.83 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -38.81 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.561 HD21 ' HD2' ' A' ' 26' ' ' ARG . 5.3 mt -75.86 -29.5 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.09 -17.51 53.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.696 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.6 mp -65.8 133.37 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 143.57 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.9 t60 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.21 137.28 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.533 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 6.9 pt-20 -141.48 168.56 19.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 20' ' ' LEU . 2.2 mm? -83.68 129.65 34.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.595 ' O ' HD21 ' A' ' 28' ' ' LEU . 14.3 t80 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.941 0.401 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -142.68 145.87 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.74 117.42 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.05 -168.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -78.75 -27.05 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -68.75 -56.21 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.43 -35.32 38.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.2 OUTLIER -76.71 -36.31 57.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -58.15 -49.67 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.6 mm? -75.01 -27.46 60.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.14 -10.41 59.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.486 HG21 ' HE3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -103.01 0.91 32.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.778 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -70.99 145.35 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.15 -60.66 2.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.778 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.3 Cg_endo -69.72 -165.2 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.9 16.4 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.558 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.8 pp -51.44 -36.15 42.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.2 pp0? -53.06 -29.76 31.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.605 ' HD3' HD11 ' A' ' 106' ' ' ILE . 21.5 mtpt -53.21 -55.94 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 100' ' ' ALA . 5.6 t -56.34 -40.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.72 -55.41 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.726 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.97 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.595 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -48.18 -38.68 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.8 -45.73 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 26' ' ' ARG . 56.7 mt -51.97 -58.97 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.45 158.34 4.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -106.31 134.47 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.54 177.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 28' ' ' LEU . 9.0 p90 -154.21 142.67 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -101.97 137.4 40.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.402 HG21 HD21 ' A' ' 13' ' ' LEU . 7.9 mm -76.49 139.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.64 -44.77 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.69 141.57 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -122.95 -58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.446 HD13 ' H ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -131.95 141.19 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.108 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' H ' HD13 ' A' ' 41' ' ' ILE . 14.1 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.784 0.326 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.6 -22.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.0 p -100.72 5.6 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.87 24.9 43.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -103.78 21.76 15.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -173.73 164.44 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.514 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.62 160.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.88 142.76 46.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -142.39 174.73 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.27 133.71 18.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.65 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.546 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.76 130.31 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.5 mp -147.34 140.48 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 60.3 32.88 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.43 17.96 69.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -148.13 159.54 43.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.4 132.1 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.599 ' CB ' HD13 ' A' ' 78' ' ' ILE . 5.7 t0 -106.2 92.53 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -104.69 -17.35 14.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -92.07 -52.03 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 84.56 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.41 -21.56 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -51.22 -55.85 15.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -56.08 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -72.52 -28.9 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.77 -28.31 50.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.1 t -77.84 -52.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -54.97 -29.83 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -69.58 -27.87 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.07 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.83 -39.66 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -75.24 -34.38 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -76.22 -30.78 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -66.97 -50.57 61.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.09 -19.71 57.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -69.35 -53.08 21.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.29 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.1 -37.89 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.726 HD21 ' HD3' ' A' ' 26' ' ' ARG . 9.8 mt -68.83 -20.59 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.45 -4.18 74.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.605 HD11 ' HD3' ' A' ' 22' ' ' LYS . 1.7 mp -83.22 127.79 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 142.09 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.2 m -104.84 131.48 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.525 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.6 pt-20 -132.88 173.12 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' A' ' 20' ' ' LEU . 4.2 tp -94.02 132.45 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.651 ' O ' HD21 ' A' ' 28' ' ' LEU . 10.5 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.935 0.398 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -137.12 148.67 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.63 116.28 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.75 176.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -40.24 65.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -77.16 -45.78 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -51.02 -52.19 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.65 -37.05 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -29.23 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -66.23 -49.62 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.426 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.03 -28.02 60.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.39 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.416 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.8 p -101.12 -1.25 34.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.719 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.5 p -68.44 143.42 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 1.6 mptm? -72.51 -60.12 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.75 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.54 20.99 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.2 pp -56.12 -36.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -52.01 -29.88 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -52.62 -55.36 22.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 100' ' ' ALA . 4.8 t -56.18 -39.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.75 -55.34 35.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.756 ' HD2' HD21 ' A' ' 104' ' ' LEU . 5.5 mtt180 -57.88 -39.82 78.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.01 89.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -48.53 -37.37 17.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.91 -48.56 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.4 mt -51.7 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 157.71 4.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.694 0.759 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -48.64 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 128.03 54.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -54.71 174.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -149.24 145.54 27.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 t -103.65 133.93 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.426 HG21 HD21 ' A' ' 13' ' ' LEU . 7.7 mm -74.99 139.85 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.29 -44.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -153.96 147.84 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -135.04 -59.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.416 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.34 140.41 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.158 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' NH1' HD11 ' A' ' 67' ' ' ILE . 7.7 mmt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.518 HD11 ' NH1' ' A' ' 42' ' ' ARG . 4.7 mm -61.28 -38.49 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -86.75 0.27 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.57 19.17 40.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -101.89 21.51 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -166.2 158.93 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.593 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.21 163.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -122.03 140.89 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.86 174.99 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.31 132.06 20.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 114.84 3.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.56 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -88.91 131.13 35.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.619 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.2 mp -148.21 139.55 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 59.23 33.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 19.29 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -148.32 156.24 42.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.12 135.63 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.619 ' CB ' HD13 ' A' ' 78' ' ' ILE . 41.4 t0 -104.63 97.35 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -113.25 -16.56 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.19 -41.87 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 89.77 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -21.63 66.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -51.75 -59.85 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.41 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.47 -26.73 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -73.82 -38.29 64.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.97 -33.2 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.6 t -70.17 -52.46 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -63.86 -31.23 72.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -58.77 -28.02 65.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.49 -46.24 70.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -67.91 -36.9 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -76.46 -30.89 57.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.612 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -65.57 -56.17 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.91 59.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.36 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.15 -39.97 24.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.756 HD21 ' HD2' ' A' ' 26' ' ' ARG . 12.6 mt -64.29 -20.23 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.23 -2.16 77.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.4 mp -78.29 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 121.33 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.453 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 13.6 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -106.26 134.54 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.567 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.7 pt-20 -139.8 168.84 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 20' ' ' LEU . 4.8 mp -74.64 119.04 18.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.781 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.72 146.4 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.17 134.47 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.49 -171.15 43.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -38.39 91.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.15 -45.58 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -55.21 -53.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -50.61 -35.72 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.01 -32.63 59.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.33 -49.34 74.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.5 mm? -74.92 -27.72 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.16 -10.74 59.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.559 HG21 ' HE3' ' A' ' 11' ' ' LYS . 3.1 p -103.25 -4.79 23.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.775 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -63.3 143.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.1 mmtp -70.43 -60.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.79 -164.9 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.61 21.98 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.1 pp -57.66 -35.77 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.73 -29.8 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -55.97 -55.93 26.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.604 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.7 t -58.06 -39.06 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.7 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -59.58 -55.22 37.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.532 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.26 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.97 -33.43 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.93 -49.46 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -52.39 -55.2 23.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.52 158.89 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.81 177.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 11.5 p90 -155.72 139.47 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 75' ' ' ALA . 9.8 t -99.52 128.71 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG21 HD21 ' A' ' 13' ' ' LEU . 6.6 mm -71.53 139.62 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.84 -45.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -153.59 155.44 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.578 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -139.12 -58.28 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.0 145.57 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.09 -42.02 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.3 p -93.97 -1.14 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.97 19.42 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' HA ' HD13 ' A' ' 136' ' ' LEU . 2.3 p-10 -96.8 22.05 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 135' ' ' GLU . . . -167.15 161.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.578 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.92 157.31 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.49 144.91 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -145.21 174.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' ' CG2' ' A' ' 36' ' ' THR . . . -134.51 133.49 21.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.51 0.671 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.31 4.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.475 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.85 127.87 39.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.5 mp -146.22 142.36 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.01 65.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -146.68 162.42 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.07 131.78 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.51 85.61 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -93.68 -15.58 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -106.98 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.27 77.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -56.13 -60.91 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -57.53 -22.93 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.8 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -58.23 -21.07 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.97 -44.8 25.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -78.97 -29.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -60.77 -47.41 86.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -52.98 -28.48 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.52 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.37 -53.91 36.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.58 -32.2 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -75.89 -30.37 58.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.585 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -75.08 -30.01 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -32.89 64.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -73.0 -34.9 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.42 -40.48 21.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 100' ' ' ALA . 5.7 mt -81.45 -14.2 57.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.76 -0.11 78.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.604 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.9 mp -85.57 132.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 140.75 51.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.494 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 46.7 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.46 134.02 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -136.8 158.34 44.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.0 mp -70.56 142.26 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.469 HG13 ' OE2' ' A' ' 135' ' ' GLU . 4.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.498 ' O ' HD21 ' A' ' 28' ' ' LEU . 13.8 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -150.91 144.67 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.81 131.05 30.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.02 -169.96 28.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.55 94.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.83 -45.31 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.608 ' O ' HD22 ' A' ' 13' ' ' LEU . 14.1 t -55.78 -53.7 53.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.16 -37.26 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -31.56 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.14 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -75.21 -22.29 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.08 -10.77 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.95 -7.87 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.775 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.9 p -63.11 142.37 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 17.3 tptt -70.98 -59.12 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.75 -164.77 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.733 2.288 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.02 17.02 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.661 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -51.57 -36.01 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -29.71 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -51.96 -55.64 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.623 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.9 t -56.49 -39.13 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.01 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -60.51 -55.25 35.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HD2' HD21 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -57.75 -36.11 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -47.67 -34.85 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -91.31 -51.48 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -51.12 -57.51 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.18 154.81 7.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -107.12 130.79 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 178.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.519 ' CE2' HD12 ' A' ' 28' ' ' LEU . 12.7 p90 -155.74 138.34 15.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 75' ' ' ALA . 8.4 t -100.17 126.59 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.507 HG13 HD21 ' A' ' 13' ' ' LEU . 4.1 mm -68.14 139.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.0 -44.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.03 146.55 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -127.78 -57.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 16' ' ' VAL . 1.9 tp -131.33 150.72 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.427 ' N ' HD13 ' A' ' 67' ' ' ILE . 5.0 mm -58.56 -41.1 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -94.79 8.19 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.84 24.1 32.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -102.52 21.78 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.542 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -171.22 159.22 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.464 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.54 159.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -112.77 143.93 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -142.47 175.05 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -134.19 132.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 115.22 3.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.522 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.74 132.33 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.522 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.1 mp -148.07 140.51 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 59.59 33.11 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.07 66.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -145.48 160.33 41.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.3 127.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.439 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.8 m-20 -108.79 84.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -89.83 -16.23 30.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -100.35 -28.84 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 79.74 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.13 -20.46 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -57.87 -65.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -59.31 -20.04 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.76 -65.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -61.47 -15.89 41.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -78.34 -38.12 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.423 HG23 ' HD2' ' A' ' 33' ' ' TYR . 17.3 t -80.25 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -55.76 -29.54 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -54.58 -27.72 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.75 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.22 -41.36 77.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.56 -38.53 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -76.51 -34.69 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 104' ' ' LEU . . . -54.89 -47.4 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.19 -19.21 56.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -74.45 -56.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.08 -38.18 63.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.603 HD12 ' HB1' ' A' ' 100' ' ' ALA . 7.5 mt -77.85 -29.11 50.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.58 57.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.623 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.9 mp -63.8 134.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 135.11 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 23.7 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.871 0.367 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 m -103.84 132.16 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.542 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 11.3 pt-20 -135.92 169.98 16.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 20' ' ' LEU . 31.2 mt -91.61 139.05 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.616 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -135.55 146.99 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -52.25 115.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.12 -169.96 1.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -36.86 82.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -77.25 -45.1 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -61.51 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -51.69 -41.11 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -28.84 57.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -63.4 -51.16 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 mm? -75.5 -25.14 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.48 -12.89 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.08 -6.76 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.713 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.6 p -63.01 143.05 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.27 -59.9 2.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.2 Cg_endo -69.76 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 17.2 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.545 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.9 pp -51.9 -35.8 46.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' HD12 ' A' ' 20' ' ' LEU . 2.0 pp0? -56.33 -32.51 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -50.86 -45.86 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.611 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.9 t -66.91 -37.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -53.33 58.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.64 -48.57 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HD2' HD21 ' A' ' 104' ' ' LEU . 2.9 mtt180 -62.37 -32.35 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.04 78.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -49.36 -33.21 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.79 -52.8 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.41 -53.47 36.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 91.6 p -54.42 154.77 8.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 53.9 Cg_endo -69.77 -35.49 12.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.619 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -116.89 155.58 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.01 -177.4 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.475 ' CE2' HD12 ' A' ' 28' ' ' LEU . 7.4 p90 -164.48 137.27 4.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -99.01 131.12 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.34 138.77 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.8 t -105.63 -44.99 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -153.81 137.36 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.16 -58.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.29 143.12 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mm -59.28 -38.44 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.8 p -90.18 2.81 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.39 60.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.77 21.72 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.628 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -172.78 155.45 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.56 161.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -120.99 153.94 36.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -154.25 175.87 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.17 132.15 23.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HB3' HG11 ' A' ' 93' ' ' VAL . 53.4 Cg_endo -69.74 115.38 4.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.08 130.29 37.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.503 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.3 mp -147.0 141.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.18 33.35 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.69 19.41 67.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -147.97 159.55 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.8 130.92 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.421 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.2 m-20 -109.17 92.83 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -101.02 -15.49 17.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -113.29 13.73 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -116.8 79.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.474 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -66.64 -21.7 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.39 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -63.0 -21.84 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -53.7 -52.5 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -61.02 -30.07 70.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.509 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.4 HG11 ' HB3' ' A' ' 76' ' ' PRO . 4.5 p -78.07 -27.74 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -65.91 -31.93 73.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -71.75 -27.55 63.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.81 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.1 -44.39 84.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.85 -32.48 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -76.07 -30.89 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.611 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -68.25 -53.29 25.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.11 -19.88 57.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -65.72 -56.06 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.69 -38.93 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.718 HD21 ' HD2' ' A' ' 26' ' ' ARG . 12.7 mt -66.71 -17.32 64.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.46 -1.57 76.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.521 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.2 mp -82.73 126.04 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 135.67 57.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.628 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 52.3 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 m -104.86 139.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 5.2 pt-20 -145.5 156.61 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.16 132.13 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.834 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.669 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.6 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -142.88 148.8 37.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.29 117.63 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.47 -173.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.69 87.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -77.3 -45.98 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -56.57 -49.84 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.48 -41.22 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -29.06 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.15 -50.96 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -75.32 -26.51 58.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.75 -11.29 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -1.25 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.757 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.1 p -69.4 141.38 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 tttt -70.77 -58.91 4.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.548 0.689 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.757 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.74 -164.96 0.14 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.29 16.96 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.2 pp -51.9 -33.78 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -29.78 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -51.98 -56.18 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.597 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.3 t -56.37 -38.29 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.63 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -60.18 -55.2 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.683 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.09 -38.34 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.23 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -49.39 -36.56 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.89 -50.77 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -51.13 -57.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -54.31 155.68 6.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -102.93 147.65 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.51 -178.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.5 p90 -163.82 137.27 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' A' ' 75' ' ' ALA . 9.7 t -101.18 128.63 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.425 HG21 HD21 ' A' ' 13' ' ' LEU . 10.4 mm -63.34 139.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -106.17 -45.54 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -154.32 146.95 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -129.86 -59.77 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.71 150.16 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mm -57.57 -42.67 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.7 p -84.94 -1.99 57.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.61 16.9 46.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.99 21.57 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -164.57 156.11 15.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.5 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.4 pp -150.11 155.84 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -107.87 153.79 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -149.26 174.18 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 36' ' ' THR . . . -133.97 132.47 21.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.313 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.448 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -95.53 127.74 41.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.448 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.6 mp -145.85 142.92 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.7 t30 61.64 32.92 18.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.51 15.69 64.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -146.47 165.36 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.75 132.05 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -91.98 -15.86 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -106.17 10.58 31.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.0 77.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -65.99 -22.59 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.95 -61.64 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -55.25 -24.9 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -36.52 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -66.14 -26.99 67.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 33' ' ' TYR . . . -78.16 -47.29 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.62 -27.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -36.35 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -73.14 -27.92 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.77 -33.25 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CD1' HG11 ' A' ' 134' ' ' VAL . 3.0 m-85 -70.82 -54.25 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.54 -33.62 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -76.17 -43.42 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -56.31 -38.66 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.92 -20.02 72.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -68.97 -54.39 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -75.62 -40.7 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.683 HD21 ' CD ' ' A' ' 26' ' ' ARG . 10.5 mt -69.75 -26.23 64.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.3 64.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.597 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.4 mp -67.6 127.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 113.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 t60 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.476 HG11 ' CD1' ' A' ' 97' ' ' PHE . 6.0 m -99.2 140.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.565 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 4.6 pt-20 -145.27 166.65 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mp -82.59 121.06 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.826 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -141.33 141.38 33.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -51.98 121.18 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -168.89 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.02 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -77.78 -45.51 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -60.95 -48.22 82.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.94 -43.89 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.04 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -61.01 -53.04 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -76.28 -32.67 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.566 ' CG2' HG21 ' A' ' 41' ' ' ILE . 2.3 m -98.78 -22.11 16.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.807 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -46.1 143.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 11.9 tptp -71.75 -58.99 3.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.807 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.79 -165.43 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.254 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.47 15.78 20.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.2 pp -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -29.65 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' HD3' HD11 ' A' ' 106' ' ' ILE . 13.9 mtpt -50.76 -55.77 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.618 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.0 t -56.93 -40.57 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.68 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -57.37 -55.49 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.742 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.87 -45.8 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.4 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.6 -41.84 43.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.11 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 26' ' ' ARG . 61.7 mt -50.88 -59.78 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.31 157.52 4.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' HD2' HG23 ' A' ' 93' ' ' VAL . 1.3 m-85 -103.08 133.07 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.01 -177.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.72 139.46 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -99.73 140.0 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mm -78.66 136.67 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -45.02 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -154.14 131.97 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.431 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -116.42 -58.42 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.566 HG21 ' CG2' ' A' ' 15' ' ' THR . 7.1 tp -133.55 152.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.8 mm -59.27 -39.1 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -90.65 1.35 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.29 17.08 45.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -97.2 22.31 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -168.64 157.45 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -150.52 163.83 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.86 141.32 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.53 175.0 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.74 134.56 19.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.83 4.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.557 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.56 131.46 35.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.572 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.1 mp -148.58 140.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' CG ' HG22 ' A' ' 78' ' ' ILE . 33.7 m-20 60.82 32.74 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.71 15.47 66.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 162.01 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.07 135.43 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' HD13 ' A' ' 78' ' ' ILE . 53.9 t0 -107.28 97.9 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -113.47 -16.51 12.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.75 -44.68 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.33 88.51 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.63 -21.28 66.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.77 -54.21 20.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB3' ' OD2' ' A' ' 83' ' ' ASP . . . -63.46 -37.78 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.63 -25.8 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -74.14 -40.52 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.55 -47.18 56.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 33' ' ' TYR . 40.7 t -58.97 -52.46 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -37.31 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -27.1 38.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.26 -29.1 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.56 -40.19 80.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.41 -35.62 60.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -76.41 -34.16 58.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -63.31 -39.59 94.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.57 -19.83 73.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -73.42 -46.32 49.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.21 -41.26 22.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.742 HD21 ' HD3' ' A' ' 26' ' ' ARG . 6.6 mt -72.18 -23.17 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.82 -11.9 63.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.4 mp -71.58 124.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 111.121 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.25 131.96 51.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.516 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 25.7 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -105.57 136.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 5.2 pt-20 -138.15 167.06 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 107' ' ' LYS . 13.0 mt -83.52 119.36 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.92 0.39 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -151.43 148.19 27.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -52.44 140.51 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.55 -171.14 47.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.436 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.4 89.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -77.22 -45.36 26.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 t -52.88 -54.14 38.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -50.61 -34.53 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.21 -33.01 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.92 -48.34 76.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -75.22 -30.28 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -14.04 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.413 ' HB ' HG21 ' A' ' 41' ' ' ILE . 3.2 p -99.19 -4.09 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.702 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.3 p -65.01 143.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -73.23 -59.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.702 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.75 -165.01 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -111.64 16.45 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.698 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -52.68 -34.37 51.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.91 -29.69 65.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -53.86 -56.47 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 ' CG2' HD12 ' A' ' 104' ' ' LEU . 1.8 t -61.37 -34.74 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.79 64.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -62.4 -50.51 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.47 -32.09 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.29 87.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -47.49 -33.96 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.93 -50.24 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.17 -55.47 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.6 159.41 3.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -108.33 138.14 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -176.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 28' ' ' LEU . 6.6 p90 -160.1 141.15 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -100.64 132.83 45.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.99 139.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -104.48 -45.73 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -154.28 151.72 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -135.32 -59.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.417 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -133.27 143.03 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 111.164 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.793 0.33 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.415 HG12 ' H ' ' A' ' 67' ' ' ILE . 8.7 mm -53.7 -44.11 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -99.14 7.98 45.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 60.66 21.51 58.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.25 22.6 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.608 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -169.7 158.43 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.6 161.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -119.02 150.67 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -155.42 174.72 14.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.79 135.76 22.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.2 121.0 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.97 141.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 59.73 34.01 21.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.34 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -145.88 159.15 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.02 135.42 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -105.3 98.1 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -113.76 -15.3 12.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -96.91 -52.61 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.14 87.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -21.47 66.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -54.02 -67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -29.26 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -73.63 -41.55 62.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.97 -52.76 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -60.7 -29.86 69.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.51 -28.34 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.74 -30.94 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.46 -50.38 52.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.29 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -76.12 -38.97 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.506 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -54.85 -51.39 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.46 -19.99 28.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -39.62 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.03 -36.98 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.529 HD12 ' CG2' ' A' ' 23' ' ' VAL . 14.3 mt -87.9 -19.84 26.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.82 -15.11 58.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.408 ' HB ' HG23 ' A' ' 23' ' ' VAL . 3.0 mp -61.83 136.12 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 125.76 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.608 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 52.6 t60 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.8 137.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.536 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 5.1 pt-20 -144.3 159.91 41.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.698 HD21 ' HB3' ' A' ' 20' ' ' LEU . 4.4 mm? -65.03 137.09 57.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.817 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -149.94 144.23 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -57.25 127.47 32.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 173.87 46.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -50.41 -32.93 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.833 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 4.5 p30 -81.06 -45.97 15.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 m -59.97 -53.38 58.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -49.92 -37.53 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -76.16 -32.51 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -61.78 -49.22 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 mm? -74.25 -29.49 61.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.55 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -107.28 0.7 23.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.797 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.4 p -65.52 149.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.07 -62.13 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.797 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.1 Cg_endo -69.74 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -110.5 22.33 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.788 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.6 pp -60.03 -35.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' HD12 ' A' ' 20' ' ' LEU . 19.8 pt20 -52.14 -29.91 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.81 -54.18 49.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.645 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.4 t -58.7 -40.27 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.79 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.34 -55.48 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.706 ' HD2' HD21 ' A' ' 104' ' ' LEU . 7.8 ttm180 -58.03 -38.86 77.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.42 85.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -34.33 13.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.15 -51.91 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.6 mt -51.21 -54.06 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -59.42 156.34 31.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.758 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.77 -45.13 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.618 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 3.0 m-85 -108.58 137.75 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.16 176.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 21.8 p90 -149.02 138.29 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -94.67 134.54 37.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.406 HG21 HD21 ' A' ' 13' ' ' LEU . 4.5 mm -85.66 140.52 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -104.44 -45.2 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -154.53 162.9 40.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.07 -58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.54 151.11 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.795 0.331 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.8 mm -53.09 -39.69 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.98 13.57 20.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.22 29.97 60.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.93 21.5 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.54 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -174.59 171.47 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.625 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.49 156.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.45 135.96 45.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.64 165.22 30.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.23 137.25 16.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 116.1 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.39 140.11 30.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.503 HD12 ' C ' ' A' ' 77' ' ' TYR . 2.1 mp -153.55 134.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.74 33.09 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.64 73.73 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.75 150.7 35.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.09 132.86 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.456 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.6 m-20 -113.13 87.64 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -95.37 -19.99 19.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -98.61 -38.98 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.46 78.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -66.59 -24.15 66.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -51.93 -58.75 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -71.25 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.78 -44.37 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -53.79 -27.18 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.758 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -77.92 -33.82 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' TYR . 41.0 t -79.33 -52.79 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -43.73 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.3 -33.46 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -68.1 -44.04 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.19 -32.61 61.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -76.42 -37.75 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.645 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -62.53 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -20.9 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -73.25 -55.86 5.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.91 -38.26 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.706 HD21 ' HD2' ' A' ' 26' ' ' ARG . 7.1 mt -75.84 -15.31 60.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.61 1.18 76.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 104' ' ' LEU . 1.4 mp -79.74 138.38 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HB2' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.92 137.45 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 134' ' ' VAL . 21.2 m -145.44 125.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.54 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 10.4 pt-20 -130.23 169.06 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.6 mp -81.54 145.45 30.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -142.76 148.23 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -55.32 119.6 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.33 -174.11 2.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.28 82.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -77.26 -45.21 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.3 -52.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -50.48 -39.82 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.563 ' NZ ' HG21 ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.69 -35.29 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -56.28 -51.51 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.426 HD12 HG21 ' A' ' 72' ' ' ILE . 2.6 mm? -75.68 -26.62 57.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 -6.21 50.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.563 HG21 ' NZ ' ' A' ' 11' ' ' LYS . 2.0 p -108.03 3.37 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.785 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.4 p -70.28 148.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -72.86 -61.96 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.937 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.76 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -111.65 25.13 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.692 HD11 ' CG2' ' A' ' 72' ' ' ILE . 2.2 pp -61.36 -34.32 75.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -56.34 -29.79 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -54.34 -55.63 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.8 t -57.92 -38.99 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.51 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -60.26 -55.13 37.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -57.53 -38.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.14 -32.89 10.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.54 -49.63 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 100' ' ' ALA . 52.3 mt -50.83 -60.43 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.447 ' OG ' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -54.75 160.7 2.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.651 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -103.86 152.49 21.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.67 172.63 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.8 p90 -144.01 140.17 29.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -93.66 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.55 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -104.53 -45.23 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -154.56 154.44 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.82 -58.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.676 HD13 ' HA ' ' A' ' 16' ' ' VAL . 2.0 tp -132.52 155.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.6 mm -54.88 -40.53 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.1 p -101.51 6.74 42.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.505 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 56.09 27.57 51.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -94.89 22.17 6.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.29 160.09 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.692 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -141.0 162.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.08 138.39 49.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -149.32 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.62 136.88 24.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.733 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.583 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.31 138.99 31.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.641 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.0 mp -152.62 134.9 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 59.05 33.04 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.82 18.77 74.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.06 149.22 31.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.62 135.62 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.641 ' CB ' HD13 ' A' ' 78' ' ' ILE . 35.5 t0 -105.65 92.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -108.19 -18.8 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -96.42 -50.72 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.22 86.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 90' ' ' PHE . 2.2 pt? -65.9 -20.06 66.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.75 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -59.88 -21.24 60.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.446 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 1.1 t80 -51.69 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 91' ' ' TRP . 1.6 p90 -62.51 -14.89 46.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -71.81 -48.99 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.447 HG23 ' OG ' ' A' ' 31' ' ' SER . 3.0 p -81.92 -35.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -39.49 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -53.38 -27.56 24.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.86 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.72 -46.13 76.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.38 -34.93 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.17 -48.23 52.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.633 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.65 -28.46 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.64 -26.34 74.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -35.09 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.52 -35.6 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 100' ' ' ALA . 4.2 mt -88.76 -11.06 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.97 2.43 71.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.584 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.8 mp -86.91 124.63 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.79 148.98 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 134' ' ' VAL . 28.1 m -120.11 124.86 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -119.04 165.86 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.645 HD11 ' CD2' ' A' ' 20' ' ' LEU . 5.0 mp -87.64 105.23 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.883 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.5 ' O ' HD21 ' A' ' 28' ' ' LEU . 23.8 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.961 0.41 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -135.88 144.57 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -51.86 111.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.41 -168.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -37.61 86.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -77.45 -41.4 39.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -66.23 -53.11 40.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -51.44 -42.57 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -28.9 58.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.62 -52.38 63.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -75.24 -24.83 57.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.05 -9.52 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.44 -7.19 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.741 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -62.51 142.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -71.19 -59.76 3.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.741 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.73 16.39 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.4 pp -52.87 -31.5 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.17 -29.9 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -52.24 -55.99 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.5 t -56.95 -39.79 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.75 68.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -57.51 -55.46 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.648 ' HD2' HD21 ' A' ' 104' ' ' LEU . 8.6 ttm180 -59.52 -41.81 90.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.07 -41.67 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.7 OUTLIER -47.98 -38.15 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.91 -45.19 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.16 -58.05 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.64 159.47 3.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -105.57 138.19 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.63 171.04 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 9.3 p90 -148.15 145.02 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -105.74 127.24 52.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.24 140.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.79 -45.66 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -154.3 147.0 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -132.55 -59.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.51 148.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.439 HG12 ' H ' ' A' ' 67' ' ' ILE . 6.7 mm -53.93 -44.05 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 p -91.13 -2.03 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.65 23.29 66.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.83 21.82 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -167.41 159.93 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.5 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.67 161.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.9 147.93 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -146.79 175.04 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.05 133.29 23.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.532 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.0 131.57 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.532 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.0 mp -148.39 140.44 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.9 t30 59.7 32.92 21.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.04 69.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -148.07 157.57 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.01 130.11 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.428 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.4 m-20 -108.17 86.36 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -92.88 -17.62 23.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -109.88 11.68 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -118.18 69.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.51 -21.81 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.77 -60.89 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -67.4 -24.45 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.78 -34.75 73.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -74.03 -23.59 59.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.537 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -78.17 -46.85 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -72.18 -29.04 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -65.52 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -67.7 -28.36 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.25 68.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.38 -47.1 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.74 -31.76 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.06 -45.3 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -54.88 -38.96 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.86 70.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -70.74 -55.88 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.76 -39.44 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.648 HD21 ' HD2' ' A' ' 26' ' ' ARG . 9.4 mt -73.08 -25.61 60.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.42 68.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.0 mp -71.25 130.22 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 143.9 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.421 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 58.2 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -100.77 136.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.493 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 6.7 pt-20 -138.71 170.42 16.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 20' ' ' LEU . 40.9 mt -93.42 114.75 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.493 ' O ' HD21 ' A' ' 28' ' ' LEU . 33.7 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.376 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.0 137.51 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -51.85 114.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -176.86 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -35.78 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -77.56 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 m -61.68 -54.6 40.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -51.21 -35.07 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.11 61.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -58.81 -48.18 82.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.6 mm? -76.48 -35.1 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.98 -12.2 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.7 ' CG2' HG21 ' A' ' 41' ' ' ILE . 1.3 m -101.99 -21.55 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.826 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.0 p -45.03 150.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -73.42 -61.8 1.34 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.921 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.826 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.9 Cg_endo -69.77 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.87 16.33 21.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.571 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.7 pp -51.16 -30.52 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -56.24 -33.73 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -51.17 -55.71 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.3 t -57.69 -37.75 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -59.99 -53.78 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HD2' HD21 ' A' ' 104' ' ' LEU . 7.5 mtt180 -59.16 -39.16 81.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.94 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -49.2 -37.11 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.08 -50.18 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.2 mt -50.93 -55.14 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.57 159.37 3.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -110.99 133.23 53.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.49 172.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 12.9 p90 -147.91 143.65 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 75' ' ' ALA . 8.6 t -103.83 126.73 51.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mm -67.81 139.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.78 -40.75 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -153.0 136.16 15.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -123.21 -59.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.7 HG21 ' CG2' ' A' ' 15' ' ' THR . 8.7 tp -133.83 153.18 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.742 0.306 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.6 mm -60.62 -37.74 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.4 p -91.51 2.45 56.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.99 42.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.02 21.75 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -170.54 160.55 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.444 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -151.14 158.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -117.62 136.26 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -135.8 174.56 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -130.26 131.17 23.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.42 4.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.552 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.01 135.7 33.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.603 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.5 mp -150.46 134.34 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.13 32.74 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.56 8.91 64.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -138.18 155.9 48.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.05 132.45 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.603 ' CB ' HD13 ' A' ' 78' ' ' ILE . 3.7 t0 -106.76 94.42 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -106.61 -15.72 14.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.642 ' O ' HD12 ' A' ' 87' ' ' LEU . 9.3 m120 -96.32 -52.07 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.62 83.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 85' ' ' ASN . 3.5 mp -66.57 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -50.0 -46.18 52.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . -80.07 -20.4 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.23 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -63.15 -15.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -71.88 -40.69 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.061 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -79.61 -51.52 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -51.1 -29.76 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -54.09 -27.76 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.86 -29.85 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -67.75 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -74.04 -36.62 64.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -76.53 -31.32 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.619 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -64.7 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.55 -20.51 51.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -66.55 -54.75 20.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.13 -37.94 28.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.619 HD21 ' HD2' ' A' ' 26' ' ' ARG . 9.0 mt -69.25 -25.29 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.32 -11.21 63.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.6 mp -65.67 137.11 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 122.66 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.42 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 34.9 t60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.5 m -102.1 132.95 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 17.5 pt-20 -138.1 159.73 41.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 20' ' ' LEU . 2.7 mp -68.58 146.29 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.815 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -140.37 138.31 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' A' ' 28' ' ' LEU . 9.1 m-85 -51.73 116.95 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.11 174.55 4.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.62 46.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -77.91 -45.74 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -56.95 -54.4 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.0 -35.28 33.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -75.9 -33.88 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.31 -49.3 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.5 mm? -74.98 -28.1 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.95 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -102.38 -2.49 28.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.704 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.0 p -64.29 146.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.52 -61.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.704 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.3 Cg_endo -69.87 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.68 21.33 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.703 HD11 ' CG2' ' A' ' 72' ' ' ILE . 2.3 pp -58.03 -33.82 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.43 -29.77 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HD3' HD11 ' A' ' 106' ' ' ILE . 29.5 mtpt -52.93 -54.99 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 100' ' ' ALA . 5.2 t -57.76 -42.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.58 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -56.03 -55.38 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.835 ' HD2' HD21 ' A' ' 104' ' ' LEU . 18.1 ttt85 -60.56 -44.98 95.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.48 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' A' ' 5' ' ' PHE . 3.9 tp -49.76 -41.34 43.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -45.79 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -50.48 -58.78 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -54.1 154.43 7.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.75 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.688 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.6 Cg_endo -69.81 -37.54 8.9 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 2.0 m-85 -115.47 126.06 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.93 172.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 14.7 p90 -146.67 143.71 28.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -99.33 137.04 38.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mm -85.92 139.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 t -104.01 -45.18 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -154.89 159.12 40.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 -59.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.446 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -133.81 141.38 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.737 0.303 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.7 mm -60.95 -39.48 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -85.1 -0.75 55.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 60.35 24.5 61.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -97.81 22.18 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.803 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' A' ' 135' ' ' GLU . . . -170.46 161.91 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.703 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -146.23 156.19 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.14 138.46 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -153.5 161.48 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.15 140.28 34.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.36 5.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.559 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.2 139.84 30.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.665 HD13 ' CB ' ' A' ' 83' ' ' ASP . 2.6 mp -153.11 133.07 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.58 33.04 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.44 17.55 74.57 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -147.27 149.35 32.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.444 HG21 ' NE1' ' A' ' 84' ' ' TRP . 2.0 mp -57.66 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.665 ' CB ' HD13 ' A' ' 78' ' ' ILE . 24.7 t0 -110.5 98.04 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.444 ' NE1' HG21 ' A' ' 82' ' ' ILE . 30.2 m95 -110.7 -15.18 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -104.66 -50.32 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 84.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.06 -21.48 65.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -50.67 -58.91 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -71.26 -21.82 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -69.35 -24.42 63.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.688 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -78.51 -47.15 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 t -66.19 -52.31 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -54.44 -33.31 59.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.52 -25.63 60.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.76 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -66.48 -41.9 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -75.79 -33.91 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -75.97 -32.97 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.664 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -66.55 -43.67 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.57 -19.86 65.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.57 -56.11 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.54 -39.34 67.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.835 HD21 ' HD2' ' A' ' 26' ' ' ARG . 7.1 mt -73.19 -19.36 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.57 -0.22 77.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.6 mp -84.23 128.73 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 149.55 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.425 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 3.8 t60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 134' ' ' VAL . 33.7 m -141.06 127.69 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.677 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 1.6 pp20? -123.42 172.18 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 20' ' ' LEU . 1.9 mm? -91.09 123.12 34.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.463 ' O ' HD21 ' A' ' 28' ' ' LEU . 12.2 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -138.97 144.24 38.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -52.0 117.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 -173.81 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.81 -38.74 82.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -77.43 -45.76 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.8 m -53.39 -54.38 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.44 -35.49 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.94 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -64.05 -48.69 75.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.445 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.64 -29.01 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -10.66 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -102.92 5.96 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.754 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -76.08 144.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.02 -60.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.3 Cg_endo -69.74 -164.61 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.742 2.295 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.45 23.45 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.625 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -57.48 -36.47 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -52.8 -29.62 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -53.79 -56.17 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.589 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.7 t -58.03 -39.45 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -51.89 68.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -59.43 -55.35 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.647 ' HD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mtt-85 -58.31 -39.2 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.87 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.463 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -48.95 -37.2 19.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.16 -51.29 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -50.36 -55.67 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 159.52 3.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.707 0.765 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.534 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -109.22 134.99 51.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.38 171.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -146.53 147.24 30.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -106.12 130.89 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.445 HG21 HD21 ' A' ' 13' ' ' LEU . 6.4 mm -73.54 139.34 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.02 -44.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -154.08 147.72 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.583 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -133.59 -58.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.39 145.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 67' ' ' ILE . 5.3 mm -59.35 -40.54 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.5 p -87.33 0.7 55.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.97 20.3 40.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.03 22.34 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.55 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -167.2 160.39 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.583 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -149.93 163.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.53 138.58 53.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -140.38 174.62 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.81 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.4 4.08 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.576 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.21 132.16 36.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.632 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.9 mp -149.31 138.32 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 m120 59.48 32.67 21.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.67 18.56 72.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -148.38 154.51 40.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.88 133.3 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.632 ' CB ' HD13 ' A' ' 78' ' ' ILE . 29.2 t0 -101.89 90.8 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -106.21 -19.87 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.3 -45.24 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.4 84.87 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.36 -21.31 66.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -50.02 -46.9 53.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.79 71.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.52 -33.97 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -74.28 -26.54 60.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -73.44 -47.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.5 -27.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -63.33 -44.21 95.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.68 -28.08 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.38 -31.75 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.38 -47.06 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.75 -31.48 63.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -75.79 -46.42 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.34 -30.21 50.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.6 -20.01 71.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -80.67 -34.59 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.42 -35.19 27.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 100' ' ' ALA . 1.9 mt -90.14 -19.37 24.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.66 -11.52 63.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.589 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.8 mp -64.23 138.33 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 125.02 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 9.6 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 m -104.84 133.77 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.55 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 17.8 pt-20 -138.98 168.11 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -73.56 109.19 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.811 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.449 ' O ' HD21 ' A' ' 28' ' ' LEU . 13.5 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.96 0.41 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -139.49 144.31 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.76 116.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.36 -167.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -77.65 -37.34 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.663 ' O ' HD22 ' A' ' 13' ' ' LEU . 66.2 m -67.57 -54.5 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -51.59 -43.48 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -28.69 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -53.88 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -75.12 -26.76 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -13.59 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.36 6.88 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.785 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.3 p -76.62 148.97 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -74.83 -61.78 1.01 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.76 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.67 18.12 18.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HB3' HD21 ' A' ' 136' ' ' LEU . 3.6 pp -51.37 -35.77 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.97 -29.66 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.665 ' HD3' HD11 ' A' ' 106' ' ' ILE . 5.1 mtpm? -52.4 -56.09 17.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.645 HG13 ' HB3' ' A' ' 100' ' ' ALA . 2.9 t -56.22 -39.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.38 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -58.4 -55.07 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.656 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -59.9 -37.05 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.45 86.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -48.89 -36.58 17.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.83 -49.54 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 mt -50.84 -53.27 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.622 ' CB ' HG23 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -54.54 160.22 2.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.1 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.499 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -115.08 131.9 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.26 169.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.1 p90 -145.25 145.04 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -102.09 131.04 48.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.71 138.8 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.29 -44.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -153.55 144.88 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -126.61 -57.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 tp -130.35 154.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.7 mp -61.33 -38.14 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -82.75 -1.28 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.3 48.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.75 15.32 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -164.45 160.31 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.477 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -150.04 157.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -110.69 143.48 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -142.71 174.55 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.49 132.92 17.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.736 2.29 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.465 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.77 132.43 36.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.465 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.3 mp -149.4 137.33 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' HG22 ' A' ' 78' ' ' ILE . 33.9 m-20 61.36 32.88 19.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.69 14.23 67.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -143.44 156.78 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.44 133.61 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.24 90.92 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -103.36 -15.48 15.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -101.48 -24.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 85.47 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.68 -21.84 66.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -50.56 -45.78 57.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.62 -65.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -61.32 -17.96 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -69.86 -47.15 63.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.622 HG23 ' CB ' ' A' ' 31' ' ' SER . 4.1 p -79.01 -27.99 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.58 -43.23 93.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -28.19 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 -31.75 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD2' HG11 ' A' ' 134' ' ' VAL . 5.0 m-85 -68.78 -54.26 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.21 -34.75 77.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -76.33 -33.47 59.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.645 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -63.29 -41.88 99.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.31 -19.76 68.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -47.81 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.05 -38.38 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.656 HD21 ' CD ' ' A' ' 26' ' ' ARG . 6.0 mt -76.07 -24.88 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.74 -13.06 61.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.665 HD11 ' HD3' ' A' ' 22' ' ' LYS . 2.0 mp -69.11 136.99 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 138.16 55.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 t60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.45 HG11 ' CD2' ' A' ' 97' ' ' PHE . 7.2 m -102.35 138.35 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.571 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 8.6 pt-20 -142.74 167.74 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 20' ' ' LEU . 21.8 mt -90.01 131.15 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.542 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.8 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -142.88 149.47 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' A' ' 28' ' ' LEU . 15.3 m-85 -51.02 116.53 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.56 -178.46 0.42 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -58.71 -45.18 90.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -77.35 -31.37 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -60.83 -55.29 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -51.57 -32.98 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -75.89 -36.69 59.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.43 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.485 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.52 -28.29 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.16 60.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.2 p -100.48 -0.91 37.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.781 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.3 p -69.45 142.79 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.8 tmtt? -70.59 -59.53 3.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.781 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.2 Cg_endo -69.81 -164.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.13 23.41 13.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.633 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.1 pp -57.0 -36.01 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -51.99 -29.71 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HD3' HD11 ' A' ' 106' ' ' ILE . 3.8 mtpm? -55.43 -56.08 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.661 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.3 t -57.58 -39.74 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.41 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -58.47 -55.38 35.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.679 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.82 -42.49 89.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.92 73.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -49.29 -37.68 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.67 -43.37 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 26' ' ' ARG . 56.7 mt -54.81 -57.04 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.42 157.51 4.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.754 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.68 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.7 Cg_endo -69.74 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -107.81 123.62 48.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 168.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.706 ' CE2' HD12 ' A' ' 28' ' ' LEU . 15.4 p90 -145.44 140.89 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 75' ' ' ALA . 9.6 t -99.01 125.69 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.485 HG21 HD21 ' A' ' 13' ' ' LEU . 8.4 mm -63.27 139.32 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.9 t -106.52 -44.65 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -153.74 150.54 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -136.36 -59.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.88 144.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.8 mm -60.13 -38.74 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.6 p -95.77 8.43 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.39 24.35 22.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.525 ' HA ' HD23 ' A' ' 136' ' ' LEU . 6.6 m-20 -101.74 22.03 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.551 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -172.59 160.66 4.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.439 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.4 pp -150.2 157.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.33 149.77 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 93' ' ' VAL . 13.1 p90 -145.53 174.15 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.514 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -133.39 133.35 22.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 111.079 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.56 4.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.564 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.79 134.13 37.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.564 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.4 mp -151.06 139.69 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 59.3 33.28 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.15 18.61 69.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -147.51 157.43 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.53 132.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.77 82.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -88.04 -15.74 35.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -108.43 11.44 26.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.09 82.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 88' ' ' GLU . 4.0 pp -66.11 -21.78 66.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.55 ' N ' HD12 ' A' ' 87' ' ' LEU . 36.7 mt-10 -54.19 -64.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -56.35 -24.83 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.76 -27.39 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -74.24 -51.68 14.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.68 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -57.88 -29.92 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.474 HG11 ' CE1' ' A' ' 74' ' ' PHE . 42.1 t -78.68 -52.53 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 22.6 ttpp -72.55 -26.65 61.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.63 59.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.434 ' CD2' HG11 ' A' ' 134' ' ' VAL . 5.0 m-85 -72.41 -50.81 23.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.89 -42.17 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 4.1 pt20 -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.597 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.45 -43.98 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.8 74.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -42.45 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.06 -39.81 25.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.679 HD21 ' HD3' ' A' ' 26' ' ' ARG . 5.0 mt -77.34 -23.84 50.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.11 -11.46 65.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.661 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.4 mp -71.99 137.27 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 142.9 41.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.457 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 18.6 t60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 97' ' ' PHE . 16.8 m -102.34 135.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.551 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -137.49 166.08 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 20' ' ' LEU . 2.1 mm? -87.61 141.4 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 62.83 38.86 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.604 ' O ' HD21 ' A' ' 28' ' ' LEU . 8.0 t80 -54.09 155.15 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -145.22 155.23 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.88 113.27 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.73 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -36.17 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -77.52 -45.26 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -63.39 -54.19 40.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.05 -34.64 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -48.27 23.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.16 -49.34 32.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -74.98 -31.43 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -9.5 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -6.33 21.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -63.78 144.59 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.0 mptt -71.48 -60.5 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.78 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.0 24.2 12.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.729 ' HB3' HD11 ' A' ' 136' ' ' LEU . 2.8 pp -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -56.53 -29.72 62.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -53.39 -56.28 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.6 t -55.89 -37.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -52.02 67.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -59.05 -55.04 40.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.599 ' CD ' HD21 ' A' ' 104' ' ' LEU . 16.8 ttm-85 -58.49 -43.24 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.86 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.604 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.6 OUTLIER -49.02 -36.95 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.44 -50.99 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -50.55 -55.73 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.64 159.73 3.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.681 0.753 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.57 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 54.2 Cg_endo -69.8 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 1.4 m-85 -109.07 136.81 47.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.34 176.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.6 p90 -155.0 145.31 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -105.05 140.42 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 mm -79.14 138.29 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -108.19 -44.52 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -153.19 143.45 22.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -130.96 -57.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 tp -130.49 154.3 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.98 120.3 33.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -177.77 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 m -81.7 6.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.81 -22.58 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -73.25 -76.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 t -62.09 -17.29 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.37 -49.03 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' HG2' ' HB2' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -82.96 -6.56 59.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -22.31 28.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 59' ' ' LYS . 2.9 pp -91.27 16.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB2' ' HG2' ' A' ' 49' ' ' GLN . . . -70.8 -25.31 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.54 -53.85 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.32 -63.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 55' ' ' THR . 2.0 t -58.73 104.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.145 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.9 p -92.47 -27.0 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -66.72 -34.77 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 mt -92.25 36.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.675 ' HB3' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -67.66 101.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -170.41 62.99 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 78.02 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HA ' HG13 ' A' ' 67' ' ' ILE . 9.1 p -120.41 34.41 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -23.46 36.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -122.5 -166.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 24.7 mmtm -104.93 -8.07 18.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -51.55 -27.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 62' ' ' SER . 9.7 mm -55.71 -46.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -84.51 -1.05 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.36 27.47 65.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -107.75 22.02 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -163.95 158.97 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.533 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.7 161.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -118.74 139.63 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -139.04 175.04 9.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.78 133.99 20.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.55 4.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.499 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.01 131.51 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.1 mp -147.79 140.76 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 59.48 33.07 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.48 19.36 68.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.9 157.31 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.68 130.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.429 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.3 m-20 -108.91 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -93.73 -18.15 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.44 -25.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.42 69.37 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -22.29 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -51.97 -54.28 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -64.21 -32.42 74.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.01 -30.47 25.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -69.75 -44.76 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -71.36 -27.57 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -78.75 -52.41 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.98 -37.98 86.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -54.17 -28.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.2 -44.11 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.7 -34.46 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -76.37 -30.76 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -75.37 -32.15 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.08 -29.52 66.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -34.39 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.4 -39.65 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 100' ' ' ALA . 4.8 mt -82.54 -18.29 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.5 -10.07 65.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.528 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.2 mp -63.43 138.55 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 108.1 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -141.65 127.72 19.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 108' ' ' LEU . 2.9 tpt180 -164.01 142.62 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.803 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -106.72 170.63 7.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.01 69.05 2.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.15 -27.02 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.18 -33.25 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -53.82 -40.7 66.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -79.45 -28.64 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.94 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 t -52.37 -40.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.59 174.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -83.0 96.07 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.8 -26.72 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -15.96 63.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 63.7 52.46 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.78 -24.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -76.48 -24.77 53.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -77.27 -31.31 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 94.54 34.55 6.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 130' ' ' ASP . 8.8 t -93.53 167.42 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -95.13 25.65 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 128' ' ' THR . 6.4 t0 -50.98 -53.94 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.97 -12.52 68.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.65 57.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.491 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 19.1 t60 -53.48 120.94 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -100.62 134.45 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 10.8 pt-20 -139.24 164.46 29.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.0 mp -76.93 140.22 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.479 HG11 ' HB3' ' A' ' 109' ' ' ARG . 6.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.2 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.328 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -52.07 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -83.25 156.32 23.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -145.64 148.25 32.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 28' ' ' LEU . 7.8 m-85 -54.45 114.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.76 176.64 5.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.22 -37.09 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -78.3 -45.3 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.21 -54.59 45.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -51.21 -35.98 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.1 OUTLIER -75.76 -32.04 59.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.25 -49.56 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.88 60.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.424 HG21 ' HE3' ' A' ' 11' ' ' LYS . 1.1 p -101.32 -2.86 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.5 p -67.12 143.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.77 -60.35 1.98 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.708 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.3 Cg_endo -69.75 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -112.87 17.37 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 18' ' ' PRO . 2.9 pp -52.82 -33.88 51.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -58.32 -29.86 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HD3' HD11 ' A' ' 106' ' ' ILE . 24.5 mtpp -52.46 -55.92 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.586 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.3 t -56.34 -40.24 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -57.01 -55.47 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.58 ' HD2' HD21 ' A' ' 104' ' ' LEU . 30.9 ttm-85 -59.79 -42.23 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.33 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -48.49 -38.55 20.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.6 -44.93 9.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.5 -59.61 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.606 ' CB ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -54.57 159.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.879 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.74 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.41 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.552 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -105.25 137.75 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.08 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -161.15 143.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -104.01 141.42 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.404 HG21 HD21 ' A' ' 13' ' ' LEU . 7.5 mm -84.65 138.91 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.36 -45.35 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.3 144.93 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -129.91 -58.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.31 141.38 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.105 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -93.79 129.45 40.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -176.33 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 m -81.94 3.84 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.3 -24.88 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -74.47 -77.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -59.07 -19.74 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.71 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.61 4.64 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -56.12 -21.76 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.41 HG22 ' HB2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -69.82 -10.05 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.76 39.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -95.11 25.54 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.46 10.22 53.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.453 HG21 ' HB2' ' A' ' 58' ' ' LEU . 11.0 t -160.03 131.83 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.17 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.3 t -95.1 -25.95 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -85.9 -39.82 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' HB2' HG21 ' A' ' 55' ' ' THR . 9.3 mp -92.15 36.44 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HB2' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -53.8 145.77 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.07 74.04 80.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -45.88 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.6 p -119.3 49.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -24.3 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -128.69 -169.69 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -7.91 30.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -52.38 -24.54 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.8 mm -54.9 -44.28 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 t -87.93 -1.09 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.35 25.01 64.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -102.47 21.43 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -167.74 160.07 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -150.82 163.26 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.16 138.87 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -141.92 174.39 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.77 134.52 18.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.574 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -90.66 134.09 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.615 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.0 mp -149.11 137.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 t30 61.5 33.13 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.66 11.29 62.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -139.83 159.04 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.89 136.83 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.615 ' CB ' HD13 ' A' ' 78' ' ' ILE . 17.9 t0 -109.61 99.73 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -113.17 -15.4 12.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.28 -44.06 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.06 83.71 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -52.33 -59.54 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -63.07 -21.96 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -55.37 -25.81 37.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -65.12 -47.85 75.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.606 HG23 ' CB ' ' A' ' 31' ' ' SER . 4.7 p -79.77 -28.76 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -59.21 -32.94 70.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -65.99 -27.68 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.72 -32.48 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.53 -47.14 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.54 -31.86 65.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -76.06 -45.4 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.563 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.9 -37.68 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.66 -19.67 71.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -69.16 -55.01 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.77 -40.49 61.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' A' ' 26' ' ' ARG . 11.0 mt -69.54 -20.16 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.58 -0.2 77.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.586 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.7 mp -85.05 128.36 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 146.04 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -169.57 125.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.51 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -153.58 160.73 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -123.42 173.0 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.08 54.01 2.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.96 -24.37 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.46 -26.16 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -57.51 -51.97 67.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -72.59 -24.05 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.95 -23.89 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.046 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.6 t -52.04 -30.19 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 165.43 -77.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.88 136.21 33.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -81.63 95.74 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -87.85 -26.08 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -68.58 -12.55 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.53 58.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.1 mm -66.78 -23.41 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -67.73 -23.21 65.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -73.6 -32.13 63.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 95.53 35.31 5.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.3 t -81.95 160.99 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.355 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.08 23.68 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.33 -43.31 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -107.46 -5.23 34.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.99 -37.46 45.01 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 21.2 t60 -53.88 122.18 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.3 m -100.2 133.84 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.522 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -138.27 167.76 21.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 18' ' ' PRO . 39.5 mt -87.65 108.28 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.799 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -80.9 123.92 28.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.24 153.78 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -142.19 139.36 32.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -53.39 121.32 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.68 -169.12 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.39 -44.94 34.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -63.23 -53.24 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.47 -38.81 45.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -36.41 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.69 -50.56 71.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 mm? -75.67 -25.67 56.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -9.43 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.96 -13.2 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.769 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.1 p -56.42 144.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.63 -59.86 2.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.769 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.79 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.95 16.45 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.7 pp -52.59 -31.84 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.93 -29.92 67.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HD3' HD11 ' A' ' 106' ' ' ILE . 17.5 mtpt -51.42 -55.71 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.596 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.9 t -57.38 -40.12 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -58.09 -55.64 32.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.639 ' CD ' HD21 ' A' ' 104' ' ' LEU . 11.6 ttt180 -58.45 -44.04 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.99 68.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -47.88 -39.6 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.4 -45.94 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.2 mt -51.17 -59.6 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.2 157.54 4.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -103.51 135.47 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.78 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 7.8 p90 -163.1 138.02 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -99.13 135.81 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mm -73.56 139.49 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -107.74 -44.63 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -153.43 141.53 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -126.04 -58.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 16' ' ' VAL . 2.8 tp -131.73 154.96 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -92.49 142.91 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -171.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.31 1.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.02 -29.07 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.31 -75.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.7 p -54.6 -26.36 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.45 -49.36 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -83.33 3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -55.43 -21.89 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -10.07 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.39 -30.22 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -55.87 -54.76 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.26 50.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' THR . 3.3 t -159.79 116.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -95.11 -41.69 8.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -52.1 -36.64 51.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.18 36.66 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 145.85 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 50.0 59.59 16.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 138.83 38.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.706 ' CB ' HG21 ' A' ' 67' ' ' ILE . 45.3 p -120.42 37.93 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -46.0 24.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 m -55.17 177.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 7.5 mttp -93.42 -38.65 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -53.62 -21.58 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.706 HG21 ' CB ' ' A' ' 62' ' ' SER . 6.9 mm -54.21 -42.01 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 70' ' ' ASP . 4.3 t -98.5 3.65 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.34 21.83 60.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.642 ' OD1' HD12 ' A' ' 136' ' ' LEU . 1.2 t0 -96.24 21.59 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 65' ' ' LYS . . . -169.47 161.72 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.48 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -150.95 161.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.33 143.88 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -142.66 174.8 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.44 21.15 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.72 4.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.457 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.2 130.72 37.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.457 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.9 mp -147.49 140.92 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.53 33.13 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.39 19.08 68.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -148.07 160.51 42.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 130.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.42 90.62 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -99.72 -18.0 17.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -103.15 1.47 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.21 77.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -66.26 -21.66 66.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.03 -62.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -22.7 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -74.09 -32.47 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -67.69 -47.07 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.25 -28.23 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.37 -30.38 71.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -70.95 -28.43 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.82 -51.4 33.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.42 -32.28 73.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -76.28 -44.26 37.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.542 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.88 -37.05 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.07 -19.54 73.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.36 -54.09 33.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.712 0.291 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.639 HD21 ' CD ' ' A' ' 26' ' ' ARG . 14.5 mt -65.24 -23.28 67.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.35 -5.23 73.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.596 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.1 mp -80.79 124.21 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.466 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.38 134.13 55.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -156.45 126.06 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.554 ' HB3' HG11 ' A' ' 137' ' ' VAL . 7.8 ttt180 -156.64 152.45 27.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.446 ' CE1' HG12 ' A' ' 134' ' ' VAL . 1.1 m-85 -117.68 92.6 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.0 126.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.07 -38.11 10.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -101.09 -26.12 13.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -52.01 -42.13 62.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -79.9 -32.03 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.01 68.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -57.66 -26.96 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.1 -63.58 4.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.12 169.11 10.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.508 ' CD2' HD12 ' A' ' 124' ' ' ILE . 16.3 m-85 -128.73 103.38 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.02 7.41 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -101.1 -10.18 20.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 63.89 57.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 120' ' ' TYR . 0.2 OUTLIER -58.28 -22.02 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -59.89 -21.55 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -60.39 -26.11 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.02 35.5 2.54 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 76.9 p -87.67 -179.56 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -95.73 24.65 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.77 124.09 13.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.97 20.17 74.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -91.11 -44.6 4.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.469 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 48.8 t60 -53.93 125.18 17.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.446 HG12 ' CE1' ' A' ' 110' ' ' PHE . 14.3 m -102.56 133.38 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.5 pt-20 -135.24 174.08 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.642 HD12 ' OD1' ' A' ' 70' ' ' ASP . 12.9 mt -89.18 119.46 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 109' ' ' ARG . 15.7 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -56.79 99.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.817 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.2 152.26 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HA ' HD21 ' A' ' 28' ' ' LEU . 8.5 tptt -138.72 146.59 41.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.79 116.67 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.65 176.34 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -37.55 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -78.12 -45.13 24.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -57.29 -54.81 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.09 -34.97 32.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -33.53 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.59 -48.78 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -74.94 -28.54 60.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.03 -8.38 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.402 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.6 p -106.75 3.77 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.771 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.3 p -72.85 143.72 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -70.5 -60.75 3.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.1 Cg_endo -69.74 -164.7 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -113.03 23.48 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.637 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.2 pp -57.87 -36.46 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -52.28 -29.79 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -52.76 -55.63 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.696 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.6 t -58.54 -39.43 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.41 -54.45 46.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HD2' HD21 ' A' ' 104' ' ' LEU . 1.1 tpm_? -59.2 -41.02 87.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -34.66 75.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 4' ' ' LYS . 6.4 tp -48.86 -40.54 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.68 -47.25 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HG2' ' A' ' 26' ' ' ARG . 77.5 mt -50.78 -52.75 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -53.85 157.06 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.686 0.755 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.99 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.602 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -112.05 127.61 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.14 166.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 13.1 p90 -145.99 140.47 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -100.36 132.06 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.417 HG21 HD21 ' A' ' 13' ' ' LEU . 6.9 mm -76.64 139.17 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.8 t -104.2 -45.15 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.57 152.69 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.561 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -137.99 -58.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.405 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -132.03 144.83 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.41 121.35 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -175.84 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -81.38 4.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.94 -24.02 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.76 -74.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -60.72 -18.39 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.3 -53.16 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.01 -9.69 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -32.16 29.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.612 HD12 ' N ' ' A' ' 52' ' ' ALA . 2.9 pp -57.79 -24.05 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -62.88 -16.18 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -50.94 -37.06 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.89 -16.75 1.07 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.434 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 55' ' ' THR . 4.1 t -119.96 117.86 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.317 . . . . 0.0 111.168 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -95.16 -46.23 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -54.2 -32.89 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.13 36.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HD3' HG21 ' A' ' 51' ' ' ILE . 16.9 ttpp -64.37 93.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -177.15 62.98 0.2 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 74.9 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -120.59 31.07 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -56.3 -24.44 43.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -118.08 -167.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -104.46 -5.79 21.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -51.97 -31.42 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.35 -40.94 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.2 p -83.37 -4.41 58.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 61.18 16.6 49.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.41 ' HA ' HD23 ' A' ' 136' ' ' LEU . 1.6 p-10 -100.82 22.11 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.533 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -166.11 161.59 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.561 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.29 160.23 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.75 138.27 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -138.02 173.93 11.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.23 21.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HB3' HG11 ' A' ' 93' ' ' VAL . 53.9 Cg_endo -69.77 116.23 4.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.494 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -94.79 118.06 31.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -137.71 142.49 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 62.02 32.92 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.47 15.4 65.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -147.36 165.9 28.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.319 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.77 133.44 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.77 95.7 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -110.41 -15.37 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.92 -39.69 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.53 85.15 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.739 ' HB2' HG22 ' A' ' 124' ' ' ILE . 0.5 OUTLIER -66.6 -20.93 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.32 -57.07 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.02 86.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -55.9 -29.54 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -74.31 -24.18 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.602 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.38 -47.37 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.479 HG11 ' HB3' ' A' ' 76' ' ' PRO . 2.9 p -62.57 -27.87 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.81 -40.86 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -56.56 -28.51 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.21 74.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.64 -54.17 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.37 -31.96 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.93 -30.99 58.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.642 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -67.52 -46.73 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.59 45.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -73.49 -55.83 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -38.81 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.561 HD21 ' HD2' ' A' ' 26' ' ' ARG . 5.3 mt -75.86 -29.5 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.09 -17.51 53.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.696 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.6 mp -65.8 133.37 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 143.57 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -169.45 125.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.539 ' N ' HD13 ' A' ' 108' ' ' LEU . 16.6 ttt85 -155.02 158.9 39.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.409 ' CD1' HG12 ' A' ' 134' ' ' VAL . 6.9 m-85 -116.98 172.75 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.0 97.49 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.84 8.98 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.57 -30.3 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -70.98 -37.89 72.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.97 -26.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.55 -25.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -56.93 -45.83 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 152.16 -38.27 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.75 -178.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -77.14 135.29 38.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -56.3 -26.6 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.72 -16.39 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 56.77 60.38 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.739 HG22 ' HB2' ' A' ' 87' ' ' LEU . 1.1 pp -78.45 -30.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -22.35 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -97.15 -32.15 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.18 35.47 83.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 130' ' ' ASP . 8.8 t -107.1 168.87 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -90.35 13.02 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.456 ' H ' HG23 ' A' ' 128' ' ' THR . 23.9 m-20 -53.48 107.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 107.8 -28.84 11.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.75 -39.73 47.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -53.69 120.78 6.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.409 HG12 ' CD1' ' A' ' 110' ' ' PHE . 11.2 m -103.21 137.28 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.533 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 6.9 pt-20 -141.48 168.56 19.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 20' ' ' LEU . 2.2 mm? -83.68 129.65 34.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 109' ' ' ARG . 6.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtt . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 119.18 31.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.595 ' O ' HD21 ' A' ' 28' ' ' LEU . 14.3 t80 -62.68 157.24 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -142.68 145.87 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.74 117.42 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.05 -168.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -78.75 -27.05 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -68.75 -56.21 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.43 -35.32 38.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.2 OUTLIER -76.71 -36.31 57.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -58.15 -49.67 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.6 mm? -75.01 -27.46 60.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.14 -10.41 59.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.486 HG21 ' HE3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -103.01 0.91 32.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.778 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -70.99 145.35 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.15 -60.66 2.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.778 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.3 Cg_endo -69.72 -165.2 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.9 16.4 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.558 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.8 pp -51.44 -36.15 42.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.2 pp0? -53.06 -29.76 31.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.605 ' HD3' HD11 ' A' ' 106' ' ' ILE . 21.5 mtpt -53.21 -55.94 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 100' ' ' ALA . 5.6 t -56.34 -40.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.72 -55.41 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.726 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.97 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.595 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -48.18 -38.68 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.8 -45.73 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 26' ' ' ARG . 56.7 mt -51.97 -58.97 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.45 158.34 4.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -106.31 134.47 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.54 177.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 28' ' ' LEU . 9.0 p90 -154.21 142.67 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -101.97 137.4 40.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.402 HG21 HD21 ' A' ' 13' ' ' LEU . 7.9 mm -76.49 139.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.64 -44.77 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.69 141.57 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -122.95 -58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.446 HD13 ' H ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -131.95 141.19 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.108 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' H ' HD13 ' A' ' 41' ' ' ILE . 14.1 mtt180 -96.11 151.58 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -167.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -77.33 2.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.97 -30.63 8.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -79.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.5 p -52.76 -28.2 21.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.99 -50.5 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' O ' HD13 ' A' ' 51' ' ' ILE . 7.8 pt20 -85.88 -0.03 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -60.26 -17.93 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -63.29 -13.57 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.99 -25.38 29.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -73.39 -47.74 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.65 44.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.36 101.93 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -95.36 -45.5 7.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -66.36 -42.68 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.07 36.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -57.18 143.75 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 t0 49.11 59.17 17.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 130.51 19.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.453 ' HA ' HD13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -121.49 -4.13 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -56.97 -35.9 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.415 ' HB3' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -57.41 -176.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -36.45 11.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -51.87 -49.77 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 62' ' ' SER . 2.4 mp -63.6 -22.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.0 p -100.72 5.6 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.87 24.9 43.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -103.78 21.76 15.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -173.73 164.44 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.514 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.62 160.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.88 142.76 46.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -142.39 174.73 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.27 133.71 18.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.65 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.546 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.76 130.31 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.5 mp -147.34 140.48 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 60.3 32.88 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.43 17.96 69.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -148.13 159.54 43.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.4 132.1 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.599 ' CB ' HD13 ' A' ' 78' ' ' ILE . 5.7 t0 -106.2 92.53 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -104.69 -17.35 14.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -92.07 -52.03 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 84.56 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.41 -21.56 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -51.22 -55.85 15.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -56.08 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -72.52 -28.9 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.77 -28.31 50.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.1 t -77.84 -52.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -54.97 -29.83 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -69.58 -27.87 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.07 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.83 -39.66 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -75.24 -34.38 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -76.22 -30.78 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -66.97 -50.57 61.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.09 -19.71 57.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -69.35 -53.08 21.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.29 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.1 -37.89 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.726 HD21 ' HD3' ' A' ' 26' ' ' ARG . 9.8 mt -68.83 -20.59 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.45 -4.18 74.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.605 HD11 ' HD3' ' A' ' 22' ' ' LYS . 1.7 mp -83.22 127.79 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 142.09 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -164.23 125.54 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.54 ' HD2' ' HB2' ' A' ' 112' ' ' ALA . 2.2 mtm180 -153.69 151.7 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.432 ' CE1' HG12 ' A' ' 134' ' ' VAL . 1.4 m-85 -117.49 92.72 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 51.53 88.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.54 ' HB2' ' HD2' ' A' ' 109' ' ' ARG . . . -94.78 -24.79 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -87.97 -32.93 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -70.97 -43.15 68.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -55.68 -27.71 51.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.32 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 p -53.36 -36.03 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.89 -59.67 4.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -89.68 142.16 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.405 ' CD2' HD11 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -157.83 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -87.83 7.0 32.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.13 -17.01 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 58.97 59.13 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 124' ' ' ILE . 3.8 mp -57.58 -26.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -67.53 -21.19 65.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -60.46 -22.28 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.7 35.28 2.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.2 p -88.31 171.91 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.133 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -95.49 23.62 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -51.86 51.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.24 20.41 50.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.43 -43.38 7.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -54.23 123.88 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 110' ' ' PHE . 18.2 m -104.84 131.48 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.525 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.6 pt-20 -132.88 173.12 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' A' ' 20' ' ' LEU . 4.2 tp -94.02 132.45 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.414 HG11 ' HE ' ' A' ' 109' ' ' ARG . 11.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 ttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -90.39 -74.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.651 ' O ' HD21 ' A' ' 28' ' ' LEU . 10.5 t80 -59.72 151.14 25.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -137.12 148.67 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.63 116.28 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.75 176.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -40.24 65.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -77.16 -45.78 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -51.02 -52.19 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.65 -37.05 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -29.23 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -66.23 -49.62 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.426 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.03 -28.02 60.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.39 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.416 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.8 p -101.12 -1.25 34.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.719 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.5 p -68.44 143.42 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 1.6 mptm? -72.51 -60.12 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.75 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.54 20.99 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.2 pp -56.12 -36.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -52.01 -29.88 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -52.62 -55.36 22.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 100' ' ' ALA . 4.8 t -56.18 -39.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.75 -55.34 35.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.756 ' HD2' HD21 ' A' ' 104' ' ' LEU . 5.5 mtt180 -57.88 -39.82 78.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.01 89.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -48.53 -37.37 17.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.91 -48.56 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.4 mt -51.7 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 157.71 4.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.694 0.759 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -48.64 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 128.03 54.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -54.71 174.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -149.24 145.54 27.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 t -103.65 133.93 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.426 HG21 HD21 ' A' ' 13' ' ' LEU . 7.7 mm -74.99 139.85 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.29 -44.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -153.96 147.84 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -135.04 -59.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.416 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.34 140.41 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.158 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' NH1' HD11 ' A' ' 67' ' ' ILE . 7.7 mmt85 -93.98 111.9 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.66 -171.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -78.86 1.27 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.68 -29.21 10.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -75.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.67 -25.36 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.94 -51.01 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.39 -9.03 58.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.27 -28.67 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.544 HG21 ' HB3' ' A' ' 59' ' ' LYS . 1.9 pp -98.16 21.02 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.5 -20.63 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -57.64 -58.22 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.44 -71.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' THR . 1.8 t -54.02 101.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.0 p -95.72 -37.28 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -58.57 -38.44 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -92.06 36.46 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.544 ' HB3' HG21 ' A' ' 51' ' ' ILE . 21.8 pttp -81.43 128.5 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.44 63.16 0.13 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.658 0.742 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 64.92 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 p -107.21 28.62 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -24.2 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -122.39 -167.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -99.79 -2.61 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -51.48 -35.43 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.518 HD11 ' NH1' ' A' ' 42' ' ' ARG . 4.7 mm -61.28 -38.49 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -86.75 0.27 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.57 19.17 40.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -101.89 21.51 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -166.2 158.93 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.593 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.21 163.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -122.03 140.89 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.86 174.99 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.31 132.06 20.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 114.84 3.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.56 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -88.91 131.13 35.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.619 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.2 mp -148.21 139.55 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 59.23 33.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 19.29 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -148.32 156.24 42.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.12 135.63 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.619 ' CB ' HD13 ' A' ' 78' ' ' ILE . 41.4 t0 -104.63 97.35 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -113.25 -16.56 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.19 -41.87 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 89.77 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -21.63 66.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -51.75 -59.85 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.41 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.47 -26.73 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -73.82 -38.29 64.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.97 -33.2 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.6 t -70.17 -52.46 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 112' ' ' ALA . 6.7 tttm -63.86 -31.23 72.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -58.77 -28.02 65.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.49 -46.24 70.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -67.91 -36.9 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -76.46 -30.89 57.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.612 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -65.57 -56.17 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.91 59.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.36 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.15 -39.97 24.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.756 HD21 ' HD2' ' A' ' 26' ' ' ARG . 12.6 mt -64.29 -20.23 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.23 -2.16 77.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.4 mp -78.29 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 121.33 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.14 118.22 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.587 ' CB ' HG11 ' A' ' 137' ' ' VAL . 0.0 OUTLIER -164.29 137.35 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.401 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.2 OUTLIER -153.27 162.66 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.96 93.93 1.86 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.475 ' HB2' ' NZ ' ' A' ' 94' ' ' LYS . . . -106.96 -36.98 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.544 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 7.1 t70 -115.81 -25.51 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -51.87 -56.73 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -55.54 -29.42 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 113' ' ' ASP . . . -61.3 -24.64 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -53.95 -32.79 54.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.0 -88.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.06 169.56 14.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -160.62 100.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -87.81 7.33 31.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.22 -16.52 60.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 63.43 60.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.04 -23.53 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -33.84 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -63.01 -25.75 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.85 34.89 5.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.7 p -83.92 165.1 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -126.83 26.66 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -50.85 -59.91 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -78.97 -12.72 83.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -56.35 -39.85 83.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.453 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 13.6 t60 -53.94 125.45 18.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.401 HG12 ' CE2' ' A' ' 110' ' ' PHE . 13.9 m -106.26 134.54 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.567 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.7 pt-20 -139.8 168.84 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 20' ' ' LEU . 4.8 mp -74.64 119.04 18.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.587 HG11 ' CB ' ' A' ' 109' ' ' ARG . 33.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 m -60.87 -75.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -84.75 162.78 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.72 146.4 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.17 134.47 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.49 -171.15 43.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -38.39 91.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.15 -45.58 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -55.21 -53.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -50.61 -35.72 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.01 -32.63 59.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.33 -49.34 74.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.5 mm? -74.92 -27.72 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.16 -10.74 59.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.559 HG21 ' HE3' ' A' ' 11' ' ' LYS . 3.1 p -103.25 -4.79 23.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.775 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -63.3 143.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.1 mmtp -70.43 -60.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.79 -164.9 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.61 21.98 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.1 pp -57.66 -35.77 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.73 -29.8 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -55.97 -55.93 26.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.604 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.7 t -58.06 -39.06 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.7 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -59.58 -55.22 37.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.532 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.26 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.97 -33.43 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.93 -49.46 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -52.39 -55.2 23.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.52 158.89 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.81 177.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 11.5 p90 -155.72 139.47 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 75' ' ' ALA . 9.8 t -99.52 128.71 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG21 HD21 ' A' ' 13' ' ' LEU . 6.6 mm -71.53 139.62 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.84 -45.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -153.59 155.44 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.578 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -139.12 -58.28 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.0 145.57 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -92.13 137.68 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.97 -170.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -79.55 3.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.09 -30.57 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.98 -75.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.7 p -55.69 -24.05 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.68 -45.2 53.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -89.97 1.19 56.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -24.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -11.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.76 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.42 -49.62 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.58 56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' THR . 1.9 t -160.02 105.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.2 t -93.4 -45.25 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.99 -38.05 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mt -92.17 36.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.62 145.93 8.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 50.82 59.66 15.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 140.97 44.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.707 ' CB ' HG21 ' A' ' 67' ' ' ILE . 42.9 p -120.48 38.09 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -46.98 20.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 67' ' ' ILE . 4.0 m -54.86 177.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 3.3 mptm? -92.8 -38.3 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -53.53 -21.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.707 HG21 ' CB ' ' A' ' 62' ' ' SER . 7.9 mm -54.09 -42.02 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.3 p -93.97 -1.14 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.97 19.42 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' HA ' HD13 ' A' ' 136' ' ' LEU . 2.3 p-10 -96.8 22.05 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 135' ' ' GLU . . . -167.15 161.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.578 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.92 157.31 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.49 144.91 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -145.21 174.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' ' CG2' ' A' ' 36' ' ' THR . . . -134.51 133.49 21.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.51 0.671 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.31 4.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.475 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.85 127.87 39.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.5 mp -146.22 142.36 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.01 65.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -146.68 162.42 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.07 131.78 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.51 85.61 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -93.68 -15.58 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -106.98 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.27 77.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 124' ' ' ILE . 2.7 mt -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -56.13 -60.91 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -57.53 -22.93 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.8 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -58.23 -21.07 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.97 -44.8 25.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -78.97 -29.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -60.77 -47.41 86.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -52.98 -28.48 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.52 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.37 -53.91 36.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.58 -32.2 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -75.89 -30.37 58.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.585 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -75.08 -30.01 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -32.89 64.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -73.0 -34.9 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.42 -40.48 21.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 100' ' ' ALA . 5.7 mt -81.45 -14.2 57.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.76 -0.11 78.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.604 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.9 mp -85.57 132.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 140.75 51.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -169.19 126.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.57 ' N ' HD13 ' A' ' 108' ' ' LEU . 2.5 ttt180 -155.26 170.03 22.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.42 ' CE1' HG12 ' A' ' 134' ' ' VAL . 2.7 m-85 -130.31 101.48 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.26 78.59 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.82 -24.58 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.84 -30.23 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -53.67 -48.63 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -77.23 -25.33 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.18 -28.28 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -52.12 -37.05 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -109.99 -76.91 0.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.28 -170.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -77.41 162.87 26.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -68.15 -45.22 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.1 -28.86 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 58.51 57.72 3.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 124' ' ' ILE . 5.3 mp -72.91 -24.75 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -76.25 -21.54 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -103.16 -32.41 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.14 35.5 92.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.0 t -87.11 168.06 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.192 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -86.3 6.82 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -50.7 107.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 113.15 -35.32 4.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.519 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -52.04 -45.2 56.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.494 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 46.7 t60 -53.57 122.95 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.42 HG12 ' CE1' ' A' ' 110' ' ' PHE . 15.6 m -102.46 134.02 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -136.8 158.34 44.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.0 mp -70.56 142.26 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.469 HG13 ' OE2' ' A' ' 135' ' ' GLU . 4.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -53.59 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.498 ' O ' HD21 ' A' ' 28' ' ' LEU . 13.8 t80 -87.09 164.16 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -150.91 144.67 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.81 131.05 30.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.02 -169.96 28.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.55 94.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.83 -45.31 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.608 ' O ' HD22 ' A' ' 13' ' ' LEU . 14.1 t -55.78 -53.7 53.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.16 -37.26 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -31.56 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.14 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -75.21 -22.29 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.08 -10.77 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.95 -7.87 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.775 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.9 p -63.11 142.37 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 17.3 tptt -70.98 -59.12 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.75 -164.77 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.733 2.288 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.02 17.02 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.661 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -51.57 -36.01 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -29.71 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -51.96 -55.64 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.623 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.9 t -56.49 -39.13 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.01 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -60.51 -55.25 35.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HD2' HD21 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -57.75 -36.11 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -47.67 -34.85 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -91.31 -51.48 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -51.12 -57.51 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.18 154.81 7.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -107.12 130.79 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 178.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.519 ' CE2' HD12 ' A' ' 28' ' ' LEU . 12.7 p90 -155.74 138.34 15.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 75' ' ' ALA . 8.4 t -100.17 126.59 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.507 HG13 HD21 ' A' ' 13' ' ' LEU . 4.1 mm -68.14 139.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.0 -44.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.03 146.55 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -127.78 -57.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 16' ' ' VAL . 1.9 tp -131.33 150.72 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -93.95 122.11 36.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -173.66 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.62 5.8 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.99 -24.64 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -74.51 -76.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 p -59.29 -19.8 49.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.2 -51.08 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.86 -5.37 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.03 25.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.769 HG21 ' HB3' ' A' ' 59' ' ' LYS . 2.9 pp -91.07 16.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -52.53 -57.81 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.95 -65.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -55.03 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.125 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -93.01 -34.43 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -55.88 -37.53 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mp -92.31 36.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.769 ' HB3' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -72.86 109.5 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -174.35 61.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 76.76 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 p -120.08 32.57 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -24.1 51.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -120.45 -167.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.2 -5.85 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -51.48 -32.54 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.427 ' N ' HD13 ' A' ' 67' ' ' ILE . 5.0 mm -58.56 -41.1 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -94.79 8.19 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.84 24.1 32.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -102.52 21.78 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.542 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -171.22 159.22 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.464 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.54 159.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -112.77 143.93 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -142.47 175.05 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -134.19 132.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 115.22 3.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.522 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.74 132.33 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.522 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.1 mp -148.07 140.51 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 59.59 33.11 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.07 66.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -145.48 160.33 41.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.3 127.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.439 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.8 m-20 -108.79 84.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -89.83 -16.23 30.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -100.35 -28.84 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 79.74 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.13 -20.46 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -57.87 -65.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -59.31 -20.04 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.76 -65.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -61.47 -15.89 41.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -78.34 -38.12 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.423 HG23 ' HD2' ' A' ' 33' ' ' TYR . 17.3 t -80.25 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.616 ' HE3' ' HB2' ' A' ' 112' ' ' ALA . 4.2 ttpt -55.76 -29.54 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -54.58 -27.72 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.75 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.22 -41.36 77.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.56 -38.53 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -76.51 -34.69 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 104' ' ' LEU . . . -54.89 -47.4 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.19 -19.21 56.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -74.45 -56.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.08 -38.18 63.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.603 HD12 ' HB1' ' A' ' 100' ' ' ALA . 7.5 mt -77.85 -29.11 50.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.58 57.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.623 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.9 mp -63.8 134.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 135.11 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.0 120.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -161.89 139.26 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.56 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -153.34 161.61 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.08 77.29 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.616 ' HB2' ' HE3' ' A' ' 94' ' ' LYS . . . -107.02 -39.86 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.72 -24.43 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -51.87 -41.79 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -79.48 -26.06 41.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.49 -23.82 53.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.5 m -52.06 -45.37 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -107.15 -88.51 2.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.438 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.42 161.68 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -76.95 95.88 4.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -87.65 -37.21 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -93.05 14.36 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 51.44 43.28 29.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.0 pt -54.59 -27.66 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -61.61 -22.56 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -60.64 -32.28 71.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 94.68 25.74 14.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.2 p -84.02 175.26 9.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -96.7 24.5 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.67 -22.96 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -123.79 24.62 6.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -96.16 -39.4 4.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 23.7 t60 -54.3 124.74 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.799 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 110' ' ' PHE . 16.3 m -103.84 132.16 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.542 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 11.3 pt-20 -135.92 169.98 16.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 20' ' ' LEU . 31.2 mt -91.61 139.05 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.835 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -99.39 124.74 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.616 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.0 t80 -51.51 146.11 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -135.55 146.99 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -52.25 115.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.12 -169.96 1.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -36.86 82.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -77.25 -45.1 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -61.51 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -51.69 -41.11 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -28.84 57.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -63.4 -51.16 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 mm? -75.5 -25.14 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.48 -12.89 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.08 -6.76 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.713 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.6 p -63.01 143.05 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.27 -59.9 2.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.2 Cg_endo -69.76 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 17.2 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.545 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.9 pp -51.9 -35.8 46.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' HD12 ' A' ' 20' ' ' LEU . 2.0 pp0? -56.33 -32.51 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -50.86 -45.86 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.611 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.9 t -66.91 -37.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -53.33 58.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.64 -48.57 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HD2' HD21 ' A' ' 104' ' ' LEU . 2.9 mtt180 -62.37 -32.35 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.04 78.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -49.36 -33.21 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.79 -52.8 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.41 -53.47 36.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 91.6 p -54.42 154.77 8.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 53.9 Cg_endo -69.77 -35.49 12.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.619 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -116.89 155.58 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.01 -177.4 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' CE2' HD12 ' A' ' 28' ' ' LEU . 7.4 p90 -164.48 137.27 4.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -99.01 131.12 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.34 138.77 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.8 t -105.63 -44.99 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -153.81 137.36 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.16 -58.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.29 143.12 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -93.86 118.02 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.5 -167.66 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -79.07 3.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.52 -28.04 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -73.98 -75.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -56.57 -23.94 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -56.06 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.07 -8.55 56.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -52.31 -32.13 36.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 52' ' ' ALA . 2.9 pp -60.58 -24.83 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -78.5 -2.86 40.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -51.71 -34.04 37.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.29 -35.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -124.09 133.95 53.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -93.6 -40.34 10.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -59.87 -40.9 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.18 36.26 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -54.19 101.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.62 67.73 73.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -38.03 8.38 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.5 p -91.87 45.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -23.51 39.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -131.34 -168.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 8.94 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.92 -34.58 42.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mm -59.28 -38.44 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.8 p -90.18 2.81 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.39 60.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.77 21.72 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.628 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -172.78 155.45 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.56 161.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -120.99 153.94 36.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -154.25 175.87 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.17 132.15 23.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HB3' HG11 ' A' ' 93' ' ' VAL . 53.4 Cg_endo -69.74 115.38 4.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.08 130.29 37.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.503 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.3 mp -147.0 141.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.18 33.35 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.69 19.41 67.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -147.97 159.55 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.8 130.92 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.421 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.2 m-20 -109.17 92.83 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -101.02 -15.49 17.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -113.29 13.73 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -116.8 79.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.474 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -66.64 -21.7 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.39 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -63.0 -21.84 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -53.7 -52.5 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -61.02 -30.07 70.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.509 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.4 HG11 ' HB3' ' A' ' 76' ' ' PRO . 4.5 p -78.07 -27.74 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -65.91 -31.93 73.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -71.75 -27.55 63.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.81 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.1 -44.39 84.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.85 -32.48 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -76.07 -30.89 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.611 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -68.25 -53.29 25.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.11 -19.88 57.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -65.72 -56.06 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.69 -38.93 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.718 HD21 ' HD2' ' A' ' 26' ' ' ARG . 12.7 mt -66.71 -17.32 64.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.46 -1.57 76.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.521 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.2 mp -82.73 126.04 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 135.67 57.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -158.21 125.69 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.538 ' N ' HD13 ' A' ' 108' ' ' LEU . 1.4 tmt_? -155.71 143.97 20.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 134' ' ' VAL . 3.4 m-85 -106.49 142.91 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -76.3 83.3 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 9.01 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.51 -30.61 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.36 -40.77 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.93 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.33 61.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.7 t -57.01 -36.65 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 149.91 78.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -157.56 177.59 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -79.95 115.37 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -61.64 -18.2 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 124' ' ' ILE . 4.3 t70 -80.32 -1.17 39.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 39.65 41.42 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.698 HG23 ' HB3' ' A' ' 122' ' ' ASP . 1.2 pp -79.99 -22.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.6 52.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -120.91 -33.0 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.4 60.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.2 t -128.78 -174.88 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.17 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -68.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 p30 39.09 42.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 154.06 -30.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.58 -24.04 22.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.628 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 52.3 t60 -53.03 131.98 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.802 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.429 HG12 ' CE1' ' A' ' 110' ' ' PHE . 6.2 m -104.86 139.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 5.2 pt-20 -145.5 156.61 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.16 132.13 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.834 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 131.96 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.669 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.6 t80 -51.77 157.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -142.88 148.8 37.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.29 117.63 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.47 -173.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.69 87.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -77.3 -45.98 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -56.57 -49.84 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.48 -41.22 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -29.06 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.15 -50.96 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -75.32 -26.51 58.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.75 -11.29 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -1.25 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.757 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.1 p -69.4 141.38 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 tttt -70.77 -58.91 4.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.548 0.689 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.757 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.74 -164.96 0.14 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.29 16.96 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.2 pp -51.9 -33.78 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -29.78 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -51.98 -56.18 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.597 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.3 t -56.37 -38.29 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.63 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -60.18 -55.2 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.683 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.09 -38.34 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.23 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -49.39 -36.56 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.89 -50.77 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -51.13 -57.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -54.31 155.68 6.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -102.93 147.65 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.51 -178.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.5 p90 -163.82 137.27 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' A' ' 75' ' ' ALA . 9.7 t -101.18 128.63 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.425 HG21 HD21 ' A' ' 13' ' ' LEU . 10.4 mm -63.34 139.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -106.17 -45.54 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -154.32 146.95 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -129.86 -59.77 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.71 150.16 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -93.38 122.74 36.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -178.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.0 m -81.95 5.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.85 -22.16 10.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.47 -75.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -63.68 -14.9 56.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.4 -46.95 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.32 5.57 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -57.78 -21.76 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.4 5.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.64 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -52.1 -46.06 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 45.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' THR . 1.8 t -159.86 102.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.6 t -84.8 -38.2 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -52.25 -39.57 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -92.16 36.41 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -73.55 93.66 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -175.82 62.92 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 73.52 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 p -120.88 31.47 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.95 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 m -118.97 -168.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -103.76 -6.57 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -51.65 -30.97 23.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mm -57.57 -42.67 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.7 p -84.94 -1.99 57.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.61 16.9 46.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.99 21.57 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -164.57 156.11 15.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.5 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.4 pp -150.11 155.84 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -107.87 153.79 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -149.26 174.18 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 36' ' ' THR . . . -133.97 132.47 21.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.313 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.448 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -95.53 127.74 41.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.448 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.6 mp -145.85 142.92 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.7 t30 61.64 32.92 18.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.51 15.69 64.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -146.47 165.36 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.75 132.05 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -91.98 -15.86 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -106.17 10.58 31.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.0 77.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.548 HD13 ' HA2' ' A' ' 127' ' ' GLY . 0.7 OUTLIER -65.99 -22.59 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.95 -61.64 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -55.25 -24.9 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -36.52 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -66.14 -26.99 67.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 33' ' ' TYR . . . -78.16 -47.29 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.62 -27.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -36.35 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -73.14 -27.92 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.77 -33.25 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CD1' HG11 ' A' ' 134' ' ' VAL . 3.0 m-85 -70.82 -54.25 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.54 -33.62 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -76.17 -43.42 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -56.31 -38.66 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.92 -20.02 72.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -68.97 -54.39 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -75.62 -40.7 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.683 HD21 ' CD ' ' A' ' 26' ' ' ARG . 10.5 mt -69.75 -26.23 64.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.3 64.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.597 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.4 mp -67.6 127.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 113.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.78 123.53 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.602 ' HB3' HG11 ' A' ' 137' ' ' VAL . 6.6 tpp180 -168.3 137.59 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -140.42 92.84 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.25 88.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.13 -44.48 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -115.66 -40.66 3.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.67 -55.94 25.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.69 -27.39 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.41 61.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -52.53 -50.64 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -97.91 -89.12 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.22 -174.25 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -77.18 143.59 38.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -57.8 -28.64 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.495 ' HB3' HD11 ' A' ' 124' ' ' ILE . 65.3 m-20 -90.54 -22.79 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 63.35 49.66 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 122' ' ' ASP . 17.5 mm -76.9 -23.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -69.52 -21.26 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -110.9 -32.72 6.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.548 ' HA2' HD13 ' A' ' 87' ' ' LEU . . . 63.96 14.3 55.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.421 HG23 ' CB ' ' A' ' 130' ' ' ASP . 9.8 t -80.37 168.84 18.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -68.08 -11.47 59.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.421 ' CB ' HG23 ' A' ' 128' ' ' THR . 30.8 t0 -45.83 105.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.74 -14.18 7.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.36 -46.26 16.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -53.64 118.49 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.499 HG12 ' CE2' ' A' ' 110' ' ' PHE . 6.0 m -99.2 140.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.565 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 4.6 pt-20 -145.27 166.65 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mp -82.59 121.06 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 109' ' ' ARG . 19.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 56.84 43.07 25.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.62 152.87 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -141.33 141.38 33.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -51.98 121.18 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -168.89 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.02 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -77.78 -45.51 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -60.95 -48.22 82.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.94 -43.89 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.04 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -61.01 -53.04 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -76.28 -32.67 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.566 ' CG2' HG21 ' A' ' 41' ' ' ILE . 2.3 m -98.78 -22.11 16.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.807 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -46.1 143.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 11.9 tptp -71.75 -58.99 3.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.807 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.79 -165.43 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.254 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.47 15.78 20.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.2 pp -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -29.65 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' HD3' HD11 ' A' ' 106' ' ' ILE . 13.9 mtpt -50.76 -55.77 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.618 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.0 t -56.93 -40.57 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.68 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -57.37 -55.49 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.742 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.87 -45.8 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.4 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.6 -41.84 43.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.11 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 26' ' ' ARG . 61.7 mt -50.88 -59.78 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.31 157.52 4.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' HD2' HG23 ' A' ' 93' ' ' VAL . 1.3 m-85 -103.08 133.07 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.01 -177.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.72 139.46 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -99.73 140.0 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mm -78.66 136.67 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -45.02 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -154.14 131.97 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.431 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -116.42 -58.42 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.566 HG21 ' CG2' ' A' ' 15' ' ' THR . 7.1 tp -133.55 152.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.86 127.1 39.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.18 -171.71 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.7 5.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.96 -24.41 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.46 -75.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 p -59.97 -19.0 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.5 -51.64 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -74.06 -12.67 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.53 -31.46 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 52' ' ' ALA . 2.9 pp -64.22 -24.65 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -51.57 -28.52 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -55.24 -29.44 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.39 35.81 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 p -136.46 101.42 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 111.149 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.34 -34.04 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -88.17 -36.2 16.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.21 36.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 99.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -176.33 63.91 0.22 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.849 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 74.24 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.2 p -120.35 29.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.57 -24.8 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -116.8 -168.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -102.82 -5.12 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -51.73 -33.81 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.8 mm -59.27 -39.1 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -90.65 1.35 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.29 17.08 45.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -97.2 22.31 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -168.64 157.45 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -150.52 163.83 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.86 141.32 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.53 175.0 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.74 134.56 19.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.83 4.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.557 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.56 131.46 35.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.572 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.1 mp -148.58 140.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' CG ' HG22 ' A' ' 78' ' ' ILE . 33.7 m-20 60.82 32.74 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.71 15.47 66.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 162.01 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.07 135.43 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' HD13 ' A' ' 78' ' ' ILE . 53.9 t0 -107.28 97.9 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -113.47 -16.51 12.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.75 -44.68 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.33 88.51 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD21 ' HA2' ' A' ' 127' ' ' GLY . 1.2 mp -66.63 -21.28 66.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.77 -54.21 20.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB3' ' OD2' ' A' ' 83' ' ' ASP . . . -63.46 -37.78 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.63 -25.8 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -74.14 -40.52 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.55 -47.18 56.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 33' ' ' TYR . 40.7 t -58.97 -52.46 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -37.31 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -27.1 38.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.26 -29.1 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.56 -40.19 80.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.41 -35.62 60.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -76.41 -34.16 58.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -63.31 -39.59 94.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.57 -19.83 73.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -73.42 -46.32 49.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.21 -41.26 22.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.742 HD21 ' HD3' ' A' ' 26' ' ' ARG . 6.6 mt -72.18 -23.17 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.82 -11.9 63.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.4 mp -71.58 124.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 111.121 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.25 131.96 51.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -154.99 124.82 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.63 ' HB2' HG21 ' A' ' 137' ' ' VAL . 16.2 ttp180 -154.48 150.63 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.401 ' CD1' HG12 ' A' ' 134' ' ' VAL . 1.4 m-85 -115.1 92.91 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.77 120.67 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.7 -25.6 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -103.2 -25.92 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -53.91 -33.1 55.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -77.06 -28.0 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.28 -25.96 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.1 t -86.83 -52.13 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.51 34.1 1.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -118.39 -171.51 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -77.16 108.49 10.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -57.18 -25.06 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.16 -24.44 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.35 37.87 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.51 -26.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -24.32 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -105.74 -32.09 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.508 ' HA2' HD21 ' A' ' 87' ' ' LEU . . . 75.55 35.48 46.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 t -115.08 166.44 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.333 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -95.35 22.77 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.1 -36.0 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.43 -17.86 20.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.8 -33.89 50.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.516 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 25.7 t60 -53.63 127.48 25.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 110' ' ' PHE . 10.1 m -105.57 136.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 5.2 pt-20 -138.15 167.06 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 107' ' ' LYS . 13.0 mt -83.52 119.36 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.63 HG21 ' HB2' ' A' ' 109' ' ' ARG . 9.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -52.75 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -88.36 159.27 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -151.43 148.19 27.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -52.44 140.51 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.55 -171.14 47.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.436 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.4 89.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -77.22 -45.36 26.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 t -52.88 -54.14 38.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -50.61 -34.53 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.21 -33.01 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.92 -48.34 76.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -75.22 -30.28 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -14.04 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.413 ' HB ' HG21 ' A' ' 41' ' ' ILE . 3.2 p -99.19 -4.09 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.702 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.3 p -65.01 143.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -73.23 -59.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.702 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.75 -165.01 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -111.64 16.45 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.698 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -52.68 -34.37 51.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.91 -29.69 65.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -53.86 -56.47 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 ' CG2' HD12 ' A' ' 104' ' ' LEU . 1.8 t -61.37 -34.74 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.79 64.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -62.4 -50.51 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.47 -32.09 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.29 87.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -47.49 -33.96 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.93 -50.24 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.17 -55.47 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.6 159.41 3.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -108.33 138.14 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -176.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 28' ' ' LEU . 6.6 p90 -160.1 141.15 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -100.64 132.83 45.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.99 139.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -104.48 -45.73 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -154.28 151.72 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -135.32 -59.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.417 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -133.27 143.03 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 111.164 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.79 116.34 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -171.69 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 3.4 m -78.84 0.31 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.45 -31.98 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.25 -70.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -59.68 -20.98 59.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' VAL . . . -74.5 -48.57 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -87.19 -4.57 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.97 -44.37 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -96.87 8.41 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.92 -23.73 5.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -48.35 -58.02 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.61 -80.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' THR . 2.0 t -49.54 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.157 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t -95.39 -25.41 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -50.59 -42.41 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 36.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 159.52 12.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t0 48.75 58.11 17.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 126.25 13.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.608 ' CB ' HG21 ' A' ' 67' ' ' ILE . 99.7 p -103.56 38.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -78.66 -51.6 9.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -57.65 179.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -93.79 -36.4 12.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -52.96 -21.14 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.608 HG21 ' CB ' ' A' ' 62' ' ' SER . 8.7 mm -53.7 -44.11 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -99.14 7.98 45.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 60.66 21.51 58.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.25 22.6 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.608 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -169.7 158.43 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.6 161.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -119.02 150.67 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -155.42 174.72 14.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.79 135.76 22.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.2 121.0 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.97 141.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 59.73 34.01 21.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.34 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -145.88 159.15 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.02 135.42 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -105.3 98.1 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -113.76 -15.3 12.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -96.91 -52.61 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.14 87.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.589 HD22 ' CG2' ' A' ' 124' ' ' ILE . 0.5 OUTLIER -66.89 -21.47 66.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -54.02 -67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -29.26 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -73.63 -41.55 62.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.97 -52.76 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -60.7 -29.86 69.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.51 -28.34 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.74 -30.94 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.46 -50.38 52.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.29 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -76.12 -38.97 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.506 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -54.85 -51.39 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.46 -19.99 28.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -39.62 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.03 -36.98 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.529 HD12 ' CG2' ' A' ' 23' ' ' VAL . 14.3 mt -87.9 -19.84 26.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.82 -15.11 58.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.408 ' HB ' HG23 ' A' ' 23' ' ' VAL . 3.0 mp -61.83 136.12 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 125.76 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -153.92 126.18 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.72 ' HB3' HG11 ' A' ' 137' ' ' VAL . 7.9 ttm180 -158.63 150.96 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.412 ' CE1' HG12 ' A' ' 134' ' ' VAL . 1.7 m-85 -113.08 167.88 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.33 98.86 2.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.26 8.95 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.11 -23.87 65.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -67.5 -34.41 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.64 -24.65 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.2 -24.59 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m -54.59 -46.86 73.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 120.41 21.25 3.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.9 -171.61 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -77.89 96.01 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -59.07 -27.26 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -21.44 66.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 57.86 51.29 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.589 ' CG2' HD22 ' A' ' 87' ' ' LEU . 1.6 pt -56.92 -23.37 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -71.74 -21.3 61.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -109.14 -28.44 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.32 35.39 87.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.441 HG23 ' HB2' ' A' ' 130' ' ' ASP . 8.8 t -90.84 168.74 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 111.162 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -90.08 12.22 18.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.441 ' HB2' HG23 ' A' ' 128' ' ' THR . 36.3 m-20 -51.09 115.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 102.9 -30.52 10.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.461 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.11 86.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.608 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 52.6 t60 -53.78 128.01 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.412 HG12 ' CE1' ' A' ' 110' ' ' PHE . 5.5 m -104.8 137.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.536 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 5.1 pt-20 -144.3 159.91 41.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.698 HD21 ' HB3' ' A' ' 20' ' ' LEU . 4.4 mm? -65.03 137.09 57.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.72 HG11 ' HB3' ' A' ' 109' ' ' ARG . 31.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.807 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -88.06 100.79 13.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.99 163.51 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -149.94 144.23 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -57.25 127.47 32.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 173.87 46.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -50.41 -32.93 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.833 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 4.5 p30 -81.06 -45.97 15.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 m -59.97 -53.38 58.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -49.92 -37.53 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -76.16 -32.51 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -61.78 -49.22 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 mm? -74.25 -29.49 61.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.55 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -107.28 0.7 23.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.797 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.4 p -65.52 149.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.07 -62.13 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.797 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.1 Cg_endo -69.74 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -110.5 22.33 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.788 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.6 pp -60.03 -35.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' HD12 ' A' ' 20' ' ' LEU . 19.8 pt20 -52.14 -29.91 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.81 -54.18 49.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.645 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.4 t -58.7 -40.27 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.79 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.34 -55.48 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.706 ' HD2' HD21 ' A' ' 104' ' ' LEU . 7.8 ttm180 -58.03 -38.86 77.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.42 85.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -34.33 13.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.15 -51.91 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.6 mt -51.21 -54.06 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -59.42 156.34 31.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.758 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.77 -45.13 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.618 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 3.0 m-85 -108.58 137.75 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.16 176.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 21.8 p90 -149.02 138.29 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -94.67 134.54 37.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.406 HG21 HD21 ' A' ' 13' ' ' LEU . 4.5 mm -85.66 140.52 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -104.44 -45.2 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -154.53 162.9 40.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.07 -58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.54 151.11 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -92.53 147.23 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.21 -170.14 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -81.03 4.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.23 -27.65 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.84 -76.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -25.45 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.79 -54.69 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.24 -7.18 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -33.39 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.675 HG22 ' HA ' ' A' ' 59' ' ' LYS . 2.9 pp -55.13 -24.67 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -54.32 -26.06 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -52.31 -58.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.06 -63.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -51.57 119.45 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.42 -42.63 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -58.41 -38.73 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.65 36.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.675 ' HA ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.44 150.33 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 t0 49.92 61.55 13.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 137.88 36.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.7 ' CB ' HG21 ' A' ' 67' ' ' ILE . 63.5 p -120.16 43.57 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -51.19 10.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 t -54.55 177.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 25.8 mmtp -92.77 -37.68 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -53.54 -21.51 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.7 HG21 ' CB ' ' A' ' 62' ' ' SER . 9.8 mm -53.09 -39.69 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.98 13.57 20.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.22 29.97 60.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.93 21.5 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.54 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -174.59 171.47 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.625 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.49 156.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.45 135.96 45.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.64 165.22 30.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.23 137.25 16.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 116.1 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.39 140.11 30.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.503 HD12 ' C ' ' A' ' 77' ' ' TYR . 2.1 mp -153.55 134.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.74 33.09 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.64 73.73 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.75 150.7 35.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.09 132.86 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.456 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.6 m-20 -113.13 87.64 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -95.37 -19.99 19.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -98.61 -38.98 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.46 78.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -66.59 -24.15 66.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -51.93 -58.75 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -71.25 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.78 -44.37 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -53.79 -27.18 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.758 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -77.92 -33.82 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' TYR . 41.0 t -79.33 -52.79 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -43.73 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.3 -33.46 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -68.1 -44.04 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.19 -32.61 61.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -76.42 -37.75 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.645 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -62.53 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -20.9 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -73.25 -55.86 5.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.91 -38.26 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.706 HD21 ' HD2' ' A' ' 26' ' ' ARG . 7.1 mt -75.84 -15.31 60.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.61 1.18 76.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 104' ' ' LEU . 1.4 mp -79.74 138.38 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HB2' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.92 137.45 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -169.22 122.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' N ' HD13 ' A' ' 108' ' ' LEU . 6.0 ttp180 -156.31 142.0 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -104.4 93.05 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.96 137.14 7.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.21 8.34 29.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.66 -39.55 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -51.9 -57.88 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -73.17 -23.87 60.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.57 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -51.61 -30.61 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -122.48 -31.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -176.37 128.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -115.31 95.94 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -87.73 7.07 31.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -12.08 60.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 63.61 46.96 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.4 pt -56.47 -25.07 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -66.14 -26.05 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -90.11 -29.92 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 77.91 34.52 38.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 t -112.37 160.62 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -97.13 35.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -43.14 -60.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.74 67.83 3.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -46.0 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.6 148.22 25.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 134' ' ' VAL . 21.2 m -145.44 125.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.54 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 10.4 pt-20 -130.23 169.06 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.6 mp -81.54 145.45 30.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.429 HG21 ' HD3' ' A' ' 109' ' ' ARG . 4.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.775 0.321 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -113.79 101.78 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -54.42 150.14 9.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -142.76 148.23 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -55.32 119.6 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.33 -174.11 2.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.28 82.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -77.26 -45.21 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.3 -52.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -50.48 -39.82 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.563 ' NZ ' HG21 ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.69 -35.29 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -56.28 -51.51 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.426 HD12 HG21 ' A' ' 72' ' ' ILE . 2.6 mm? -75.68 -26.62 57.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 -6.21 50.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.563 HG21 ' NZ ' ' A' ' 11' ' ' LYS . 2.0 p -108.03 3.37 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.785 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.4 p -70.28 148.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -72.86 -61.96 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.937 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.76 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -111.65 25.13 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.692 HD11 ' CG2' ' A' ' 72' ' ' ILE . 2.2 pp -61.36 -34.32 75.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -56.34 -29.79 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -54.34 -55.63 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.8 t -57.92 -38.99 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.51 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -60.26 -55.13 37.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -57.53 -38.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.14 -32.89 10.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.54 -49.63 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 100' ' ' ALA . 52.3 mt -50.83 -60.43 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' OG ' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -54.75 160.7 2.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.651 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -103.86 152.49 21.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.67 172.63 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.8 p90 -144.01 140.17 29.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -93.66 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.55 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -104.53 -45.23 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -154.56 154.44 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.82 -58.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.676 HD13 ' HA ' ' A' ' 16' ' ' VAL . 2.0 tp -132.52 155.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -92.22 118.09 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -177.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -80.65 4.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.38 -24.64 10.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -73.67 -79.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 t -56.79 -21.98 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.51 -52.09 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.29 2.34 36.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -54.71 -23.39 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.607 HG22 ' HA ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -65.25 -11.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.61 -23.57 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.02 -40.63 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.79 45.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -159.84 116.84 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.309 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 p -95.22 -30.98 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -62.52 -45.9 90.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.3 36.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.91 151.07 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 49.42 61.25 14.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.54 25.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.372 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.719 ' CB ' HG21 ' A' ' 67' ' ' ILE . 58.2 p -120.36 39.87 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -47.42 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.0 m -54.12 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -92.12 -38.25 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -53.2 -22.57 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.719 HG21 ' CB ' ' A' ' 62' ' ' SER . 6.6 mm -54.88 -40.53 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.1 p -101.51 6.74 42.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.505 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 56.09 27.57 51.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -94.89 22.17 6.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.29 160.09 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.692 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -141.0 162.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.08 138.39 49.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -149.32 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.62 136.88 24.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.733 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.583 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.31 138.99 31.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.641 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.0 mp -152.62 134.9 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 59.05 33.04 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.82 18.77 74.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.06 149.22 31.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.62 135.62 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.641 ' CB ' HD13 ' A' ' 78' ' ' ILE . 35.5 t0 -105.65 92.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -108.19 -18.8 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -96.42 -50.72 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.22 86.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 90' ' ' PHE . 2.2 pt? -65.9 -20.06 66.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.75 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -59.88 -21.24 60.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.446 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 1.1 t80 -51.69 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 91' ' ' TRP . 1.6 p90 -62.51 -14.89 46.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -71.81 -48.99 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.447 HG23 ' OG ' ' A' ' 31' ' ' SER . 3.0 p -81.92 -35.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -39.49 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -53.38 -27.56 24.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.86 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.72 -46.13 76.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.38 -34.93 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.17 -48.23 52.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.633 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.65 -28.46 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.64 -26.34 74.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -35.09 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.52 -35.6 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 100' ' ' ALA . 4.2 mt -88.76 -11.06 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.97 2.43 71.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.584 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.8 mp -86.91 124.63 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.79 148.98 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.61 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -167.18 129.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.61 ' N ' HD13 ' A' ' 108' ' ' LEU . 12.4 tpp180 -154.31 153.56 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.556 ' CD1' HG12 ' A' ' 134' ' ' VAL . 1.9 m-85 -116.05 92.88 4.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.11 56.6 2.03 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.476 ' HB2' ' HG2' ' A' ' 109' ' ' ARG . . . -89.59 -17.87 27.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -51.53 -39.92 58.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.5 -35.09 73.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -58.46 -25.32 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.2 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.6 t -78.57 -55.23 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 153.09 -70.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.66 -175.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.25 95.77 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -87.69 -42.49 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.59 -22.09 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 63.35 64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.4 mp -64.57 -39.22 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -25.65 48.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 -72.76 -31.07 64.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.61 35.81 2.36 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 124' ' ' ILE . 5.1 t -78.02 123.14 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.46 ' OH ' HG13 ' A' ' 134' ' ' VAL . 1.8 t80 -129.63 35.76 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.97 -71.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.0 -17.85 45.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 51.54 73.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -152.99 135.21 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.556 HG12 ' CD1' ' A' ' 110' ' ' PHE . 28.1 m -120.11 124.86 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -119.04 165.86 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.645 HD11 ' CD2' ' A' ' 20' ' ' LEU . 5.0 mp -87.64 105.23 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -102.69 103.82 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.5 ' O ' HD21 ' A' ' 28' ' ' LEU . 23.8 t80 -51.99 155.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -135.88 144.57 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -51.86 111.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.41 -168.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -37.61 86.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -77.45 -41.4 39.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -66.23 -53.11 40.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -51.44 -42.57 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -28.9 58.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.62 -52.38 63.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -75.24 -24.83 57.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.05 -9.52 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.44 -7.19 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.741 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -62.51 142.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -71.19 -59.76 3.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.741 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.73 16.39 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.4 pp -52.87 -31.5 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.17 -29.9 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -52.24 -55.99 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.5 t -56.95 -39.79 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.75 68.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -57.51 -55.46 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.648 ' HD2' HD21 ' A' ' 104' ' ' LEU . 8.6 ttm180 -59.52 -41.81 90.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.07 -41.67 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.7 OUTLIER -47.98 -38.15 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.91 -45.19 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.16 -58.05 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.64 159.47 3.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -105.57 138.19 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.63 171.04 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 9.3 p90 -148.15 145.02 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -105.74 127.24 52.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.24 140.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.79 -45.66 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -154.3 147.0 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -132.55 -59.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.51 148.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -92.87 117.4 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -179.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 3.5 m -78.4 0.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.13 -29.43 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -75.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 p -57.52 -23.02 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 44' ' ' VAL . . . -68.35 -56.56 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -4.12 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -25.46 35.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.507 ' C ' HD12 ' A' ' 51' ' ' ILE . 1.5 pp -98.56 23.71 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.68 -22.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -46.79 -51.38 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.5 -80.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 55' ' ' THR . 2.8 t -46.99 108.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 111.142 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.453 ' HA ' HD13 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -96.5 -25.62 15.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -75.5 -32.09 60.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.8 37.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 97.57 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 0.6 OUTLIER 177.5 56.35 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.74 91.12 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.564 ' HA ' HG21 ' A' ' 67' ' ' ILE . 62.6 p -92.31 37.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -79.12 -51.58 9.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -59.7 -178.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -94.74 -36.0 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -52.55 -21.52 3.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.564 HG21 ' HA ' ' A' ' 62' ' ' SER . 6.7 mm -53.93 -44.05 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 p -91.13 -2.03 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.65 23.29 66.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.83 21.82 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -167.41 159.93 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.5 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.67 161.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.9 147.93 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -146.79 175.04 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.05 133.29 23.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.532 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.0 131.57 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.532 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.0 mp -148.39 140.44 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.9 t30 59.7 32.92 21.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.04 69.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -148.07 157.57 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.01 130.11 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.428 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.4 m-20 -108.17 86.36 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -92.88 -17.62 23.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -109.88 11.68 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -118.18 69.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CB ' HG23 ' A' ' 124' ' ' ILE . 2.9 mm? -59.51 -21.81 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.77 -60.89 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -67.4 -24.45 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.78 -34.75 73.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -74.03 -23.59 59.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.537 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -78.17 -46.85 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -72.18 -29.04 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -65.52 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -67.7 -28.36 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.25 68.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.38 -47.1 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.74 -31.76 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.06 -45.3 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -54.88 -38.96 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.86 70.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -70.74 -55.88 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.76 -39.44 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.648 HD21 ' HD2' ' A' ' 26' ' ' ARG . 9.4 mt -73.08 -25.61 60.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.42 68.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.0 mp -71.25 130.22 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 143.9 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.508 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -169.27 125.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.508 ' N ' HD13 ' A' ' 108' ' ' LEU . 23.1 ttt180 -157.15 141.26 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.05 173.15 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -89.31 77.05 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.42 -19.72 15.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 7.5 t70 -52.05 -30.01 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -55.61 -59.08 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -23.91 67.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 113' ' ' ASP . . . -55.8 -25.11 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 t -52.07 -44.44 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 172.37 -71.63 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.52 173.47 12.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.17 95.76 5.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -87.71 7.16 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.89 -25.39 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.8 63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.458 HG23 ' CB ' ' A' ' 87' ' ' LEU . 9.2 mm -71.97 -54.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -24.32 52.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -75.91 -31.56 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.64 35.32 62.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 130' ' ' ASP . 9.0 t -97.19 169.54 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 111.158 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.21 24.8 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.478 ' H ' HG23 ' A' ' 128' ' ' THR . 2.8 m-20 -53.8 111.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.8 -24.26 24.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.44 -42.45 50.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.421 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 58.2 t60 -53.73 124.32 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -100.77 136.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.493 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 6.7 pt-20 -138.71 170.42 16.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 20' ' ' LEU . 40.9 mt -93.42 114.75 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.849 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 p -160.53 121.09 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.493 ' O ' HD21 ' A' ' 28' ' ' LEU . 33.7 t80 -51.93 159.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.0 137.51 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -51.85 114.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -176.86 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -35.78 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -77.56 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 m -61.68 -54.6 40.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -51.21 -35.07 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.11 61.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -58.81 -48.18 82.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.6 mm? -76.48 -35.1 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.98 -12.2 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.7 ' CG2' HG21 ' A' ' 41' ' ' ILE . 1.3 m -101.99 -21.55 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.826 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.0 p -45.03 150.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -73.42 -61.8 1.34 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.921 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.826 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.9 Cg_endo -69.77 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.87 16.33 21.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.571 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.7 pp -51.16 -30.52 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -56.24 -33.73 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -51.17 -55.71 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.3 t -57.69 -37.75 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -59.99 -53.78 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HD2' HD21 ' A' ' 104' ' ' LEU . 7.5 mtt180 -59.16 -39.16 81.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.94 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -49.2 -37.11 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.08 -50.18 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.2 mt -50.93 -55.14 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.57 159.37 3.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -110.99 133.23 53.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.49 172.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 12.9 p90 -147.91 143.65 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 75' ' ' ALA . 8.6 t -103.83 126.73 51.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mm -67.81 139.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.78 -40.75 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -153.0 136.16 15.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -123.21 -59.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.7 HG21 ' CG2' ' A' ' 15' ' ' THR . 8.7 tp -133.83 153.18 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HD3' ' HB3' ' A' ' 46' ' ' GLN . 14.7 mmp_? -97.41 130.02 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.38 -178.45 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -77.22 -0.04 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.51 -25.81 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 17.4 tp60 -77.47 -69.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 p -63.23 -14.79 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.88 -53.45 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -70.16 -13.44 62.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -32.31 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.554 HD12 ' N ' ' A' ' 52' ' ' ALA . 2.8 pp -64.48 -30.85 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.554 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -72.76 -8.04 53.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.99 -54.53 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.55 -36.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -114.41 124.6 52.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -94.45 -36.77 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.88 -33.7 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.22 36.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 94.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.58 63.11 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 63.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.327 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.7 p -121.03 36.37 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.65 -24.46 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.72 -167.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -95.73 3.77 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -51.32 -37.62 48.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.6 mm -60.62 -37.74 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.4 p -91.51 2.45 56.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.99 42.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.02 21.75 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -170.54 160.55 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.444 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -151.14 158.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -117.62 136.26 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -135.8 174.56 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -130.26 131.17 23.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.42 4.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.552 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.01 135.7 33.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.603 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.5 mp -150.46 134.34 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.13 32.74 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.56 8.91 64.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -138.18 155.9 48.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.05 132.45 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.603 ' CB ' HD13 ' A' ' 78' ' ' ILE . 3.7 t0 -106.76 94.42 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -106.61 -15.72 14.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.642 ' O ' HD12 ' A' ' 87' ' ' LEU . 9.3 m120 -96.32 -52.07 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.62 83.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.733 HD11 ' HA2' ' A' ' 127' ' ' GLY . 3.5 mp -66.57 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -50.0 -46.18 52.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . -80.07 -20.4 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.23 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -63.15 -15.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -71.88 -40.69 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.061 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -79.61 -51.52 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -51.1 -29.76 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -54.09 -27.76 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.86 -29.85 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -67.75 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -74.04 -36.62 64.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -76.53 -31.32 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.619 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -64.7 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.55 -20.51 51.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -66.55 -54.75 20.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.13 -37.94 28.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.619 HD21 ' HD2' ' A' ' 26' ' ' ARG . 9.0 mt -69.25 -25.29 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.32 -11.21 63.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.6 mp -65.67 137.11 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 122.66 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.2 117.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.528 ' HB2' HG11 ' A' ' 137' ' ' VAL . 13.6 mtt180 -162.64 139.45 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.445 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -153.36 160.37 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.35 99.28 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.32 -24.89 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -109.51 -19.98 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -56.76 -27.92 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.21 56.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -51.91 -46.36 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.84 -72.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.12 153.96 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -78.87 95.9 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.61 -39.8 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.72 -24.26 56.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 63.27 64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.606 ' HA ' HD22 ' A' ' 87' ' ' LEU . 5.0 mp -69.13 -28.82 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -27.52 56.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpp85 -84.16 -31.72 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.733 ' HA2' HD11 ' A' ' 87' ' ' LEU . . . 67.97 34.9 83.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 30.5 p -96.99 -172.27 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.67 25.12 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.82 112.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.08 -21.44 37.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.95 -43.07 71.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.42 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 34.9 t60 -53.72 123.03 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 110' ' ' PHE . 18.5 m -102.1 132.95 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 17.5 pt-20 -138.1 159.73 41.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 20' ' ' LEU . 2.7 mp -68.58 146.29 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 109' ' ' ARG . 27.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -68.35 99.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -50.99 152.46 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -140.37 138.31 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' A' ' 28' ' ' LEU . 9.1 m-85 -51.73 116.95 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.11 174.55 4.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.62 46.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -77.91 -45.74 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -56.95 -54.4 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.0 -35.28 33.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -75.9 -33.88 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.31 -49.3 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.5 mm? -74.98 -28.1 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.95 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -102.38 -2.49 28.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.704 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.0 p -64.29 146.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.52 -61.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.704 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.3 Cg_endo -69.87 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.68 21.33 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.703 HD11 ' CG2' ' A' ' 72' ' ' ILE . 2.3 pp -58.03 -33.82 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.43 -29.77 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HD3' HD11 ' A' ' 106' ' ' ILE . 29.5 mtpt -52.93 -54.99 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 100' ' ' ALA . 5.2 t -57.76 -42.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.58 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -56.03 -55.38 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.835 ' HD2' HD21 ' A' ' 104' ' ' LEU . 18.1 ttt85 -60.56 -44.98 95.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.48 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' A' ' 5' ' ' PHE . 3.9 tp -49.76 -41.34 43.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -45.79 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -50.48 -58.78 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -54.1 154.43 7.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.75 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.688 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.6 Cg_endo -69.81 -37.54 8.9 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 2.0 m-85 -115.47 126.06 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.93 172.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 14.7 p90 -146.67 143.71 28.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -99.33 137.04 38.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mm -85.92 139.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 t -104.01 -45.18 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -154.89 159.12 40.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 -59.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.446 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -133.81 141.38 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.35 113.36 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.76 -172.63 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -78.52 0.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.67 -29.23 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -75.04 -72.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -55.14 -24.41 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.83 -50.02 13.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.4 -9.85 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -29.02 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 51' ' ' ILE . 1.9 pp -97.75 20.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.1 -18.84 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -58.44 -58.62 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.56 -71.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 55' ' ' THR . 1.8 t -53.72 101.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 t -96.25 -26.32 15.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -64.36 -38.84 92.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.08 36.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -80.46 121.09 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -179.64 60.38 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 73.15 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -120.27 23.7 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -56.7 -23.69 43.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -112.14 -163.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 -6.09 15.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -51.74 -33.54 35.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.7 mm -60.95 -39.48 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -85.1 -0.75 55.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 60.35 24.5 61.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -97.81 22.18 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.803 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' A' ' 135' ' ' GLU . . . -170.46 161.91 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.703 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -146.23 156.19 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.14 138.46 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -153.5 161.48 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.15 140.28 34.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.36 5.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.559 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.2 139.84 30.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.665 HD13 ' CB ' ' A' ' 83' ' ' ASP . 2.6 mp -153.11 133.07 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.58 33.04 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.44 17.55 74.57 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -147.27 149.35 32.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.444 HG21 ' NE1' ' A' ' 84' ' ' TRP . 2.0 mp -57.66 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.665 ' CB ' HD13 ' A' ' 78' ' ' ILE . 24.7 t0 -110.5 98.04 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.444 ' NE1' HG21 ' A' ' 82' ' ' ILE . 30.2 m95 -110.7 -15.18 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -104.66 -50.32 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 84.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.06 -21.48 65.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -50.67 -58.91 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -71.26 -21.82 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -69.35 -24.42 63.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.688 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -78.51 -47.15 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 t -66.19 -52.31 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -54.44 -33.31 59.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.52 -25.63 60.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.76 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -66.48 -41.9 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -75.79 -33.91 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -75.97 -32.97 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.664 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -66.55 -43.67 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.57 -19.86 65.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.57 -56.11 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.54 -39.34 67.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.835 HD21 ' HD2' ' A' ' 26' ' ' ARG . 7.1 mt -73.19 -19.36 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.57 -0.22 77.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.6 mp -84.23 128.73 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 149.55 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -170.24 125.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.687 ' HD3' ' HB2' ' A' ' 112' ' ' ALA . 11.4 mtt180 -151.58 147.53 26.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.536 ' CD2' HG12 ' A' ' 134' ' ' VAL . 1.2 m-85 -110.64 95.71 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.65 71.47 0.99 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.687 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . . . -101.22 -21.89 14.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.82 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -70.93 -32.21 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -64.45 -25.42 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.06 -32.91 49.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.8 p -57.15 -34.25 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.6 90.38 0.64 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -171.16 -178.7 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -77.54 118.47 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -72.11 -9.93 59.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.554 ' HB2' HG23 ' A' ' 124' ' ' ILE . 17.1 m-20 -81.65 -0.36 42.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 39.41 41.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.554 HG23 ' HB2' ' A' ' 122' ' ' ASP . 2.7 pp -61.63 -23.24 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -34.75 35.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -114.37 -32.29 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.46 17.36 68.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 t -129.57 146.55 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.72 -35.63 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t0 64.24 19.48 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 161.12 -70.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.95 82.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.425 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 3.8 t60 -154.3 145.95 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 110' ' ' PHE . 33.7 m -141.06 127.69 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.677 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 1.6 pp20? -123.42 172.18 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 20' ' ' LEU . 1.9 mm? -91.09 123.12 34.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.506 HG21 ' CG ' ' A' ' 109' ' ' ARG . 17.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -113.86 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.463 ' O ' HD21 ' A' ' 28' ' ' LEU . 12.2 t80 -78.83 151.51 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -138.97 144.24 38.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -52.0 117.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 -173.81 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.81 -38.74 82.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -77.43 -45.76 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.8 m -53.39 -54.38 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.44 -35.49 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.94 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -64.05 -48.69 75.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.64 -29.01 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -10.66 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -102.92 5.96 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.754 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -76.08 144.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.02 -60.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.3 Cg_endo -69.74 -164.61 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.742 2.295 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.45 23.45 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.625 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -57.48 -36.47 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -52.8 -29.62 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -53.79 -56.17 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.589 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.7 t -58.03 -39.45 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -51.89 68.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -59.43 -55.35 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.647 ' HD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mtt-85 -58.31 -39.2 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.87 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.463 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -48.95 -37.2 19.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.16 -51.29 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -50.36 -55.67 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 159.52 3.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.707 0.765 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.534 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -109.22 134.99 51.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.38 171.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -146.53 147.24 30.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -106.12 130.89 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.445 HG21 HD21 ' A' ' 13' ' ' LEU . 6.4 mm -73.54 139.34 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.02 -44.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -154.08 147.72 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.583 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -133.59 -58.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.39 145.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -92.84 126.79 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -176.99 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 m -82.63 5.58 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.82 -22.89 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.83 -75.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -62.4 -16.08 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 -50.14 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -88.61 3.96 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -56.34 -21.55 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -10.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -14.59 61.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.58 37.95 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 p -144.45 103.46 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -29.51 14.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -88.15 -35.28 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.52 36.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 96.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.55 65.29 0.22 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 68.9 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 p -120.66 30.41 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -56.38 -24.34 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.86 -168.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.71 -5.27 23.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -51.54 -32.54 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 67' ' ' ILE . 5.3 mm -59.35 -40.54 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.5 p -87.33 0.7 55.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.97 20.3 40.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.03 22.34 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.55 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -167.2 160.39 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.583 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -149.93 163.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.53 138.58 53.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -140.38 174.62 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.81 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.4 4.08 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.576 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.21 132.16 36.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.632 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.9 mp -149.31 138.32 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 m120 59.48 32.67 21.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.67 18.56 72.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -148.38 154.51 40.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.88 133.3 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.632 ' CB ' HD13 ' A' ' 78' ' ' ILE . 29.2 t0 -101.89 90.8 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -106.21 -19.87 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.3 -45.24 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.4 84.87 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.36 -21.31 66.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -50.02 -46.9 53.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.79 71.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.52 -33.97 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -74.28 -26.54 60.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -73.44 -47.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.5 -27.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -63.33 -44.21 95.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.68 -28.08 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.38 -31.75 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.38 -47.06 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.75 -31.48 63.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -75.79 -46.42 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.34 -30.21 50.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.6 -20.01 71.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -80.67 -34.59 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.42 -35.19 27.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 100' ' ' ALA . 1.9 mt -90.14 -19.37 24.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.66 -11.52 63.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.589 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.8 mp -64.23 138.33 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 125.02 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.87 120.32 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.815 ' HB2' HG21 ' A' ' 137' ' ' VAL . 20.2 ttp180 -165.12 145.18 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.454 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -153.12 145.13 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 51.6 49.75 45.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.7 -36.23 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.81 -56.82 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -64.06 -48.7 75.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -52.74 -35.31 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.14 -27.0 42.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.2 p -79.67 -42.41 24.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 140.61 -57.15 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.4 165.38 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -134.07 96.49 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.03 4.84 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.67 -10.97 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.67 59.85 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.1 pt -80.12 -41.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -16.92 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.54 35.44 3.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.6 p -119.91 157.4 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -96.33 25.1 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -51.04 -56.2 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -89.86 15.48 59.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.11 -38.93 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 9.6 t60 -53.78 122.89 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.454 HG12 ' CE2' ' A' ' 110' ' ' PHE . 18.1 m -104.84 133.77 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.55 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 17.8 pt-20 -138.98 168.11 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -73.56 109.19 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.815 HG21 ' HB2' ' A' ' 109' ' ' ARG . 29.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.12 157.23 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.449 ' O ' HD21 ' A' ' 28' ' ' LEU . 13.5 t80 -52.45 151.54 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -139.49 144.31 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.76 116.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.36 -167.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -77.65 -37.34 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.663 ' O ' HD22 ' A' ' 13' ' ' LEU . 66.2 m -67.57 -54.5 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -51.59 -43.48 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -28.69 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -53.88 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -75.12 -26.76 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -13.59 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.36 6.88 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.785 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.3 p -76.62 148.97 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -74.83 -61.78 1.01 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.76 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.67 18.12 18.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HB3' HD21 ' A' ' 136' ' ' LEU . 3.6 pp -51.37 -35.77 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.97 -29.66 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.665 ' HD3' HD11 ' A' ' 106' ' ' ILE . 5.1 mtpm? -52.4 -56.09 17.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.645 HG13 ' HB3' ' A' ' 100' ' ' ALA . 2.9 t -56.22 -39.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.38 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -58.4 -55.07 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.656 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -59.9 -37.05 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.45 86.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -48.89 -36.58 17.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.83 -49.54 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 mt -50.84 -53.27 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.622 ' CB ' HG23 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -54.54 160.22 2.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.1 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.499 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -115.08 131.9 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.26 169.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.1 p90 -145.25 145.04 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -102.09 131.04 48.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.71 138.8 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.29 -44.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -153.55 144.88 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -126.61 -57.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 tp -130.35 154.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -93.01 129.52 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.31 178.31 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 6.3 m -81.53 4.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.57 -21.92 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -73.34 -81.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.5 p -59.47 -18.81 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 44' ' ' VAL . . . -80.08 -53.57 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.11 4.36 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -21.82 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -8.3 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.51 45.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -96.21 -48.26 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.16 -25.54 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.435 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -131.77 146.61 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 m -92.73 -26.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -56.68 -36.58 69.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -92.23 36.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -83.28 93.52 7.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.88 62.24 0.17 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -30.65 21.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 67' ' ' ILE . 47.8 p -61.81 -13.36 23.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -22.47 13.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.35 -165.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -109.85 -34.36 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -50.79 -41.66 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.7 mp -61.33 -38.14 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -82.75 -1.28 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.3 48.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.75 15.32 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -164.45 160.31 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.477 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -150.04 157.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -110.69 143.48 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -142.71 174.55 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.49 132.92 17.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.736 2.29 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.465 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.77 132.43 36.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.465 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.3 mp -149.4 137.33 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' HG22 ' A' ' 78' ' ' ILE . 33.9 m-20 61.36 32.88 19.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.69 14.23 67.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -143.44 156.78 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.44 133.61 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.24 90.92 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -103.36 -15.48 15.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -101.48 -24.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 85.47 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.61 HD11 ' HA2' ' A' ' 127' ' ' GLY . 5.8 mp -66.68 -21.84 66.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -50.56 -45.78 57.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.62 -65.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -61.32 -17.96 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -69.86 -47.15 63.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.622 HG23 ' CB ' ' A' ' 31' ' ' SER . 4.1 p -79.01 -27.99 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.651 ' HD3' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -59.58 -43.23 93.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -28.19 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 -31.75 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD2' HG11 ' A' ' 134' ' ' VAL . 5.0 m-85 -68.78 -54.26 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.21 -34.75 77.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -76.33 -33.47 59.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.645 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -63.29 -41.88 99.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.31 -19.76 68.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -47.81 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.05 -38.38 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.656 HD21 ' CD ' ' A' ' 26' ' ' ARG . 6.0 mt -76.07 -24.88 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.74 -13.06 61.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.665 HD11 ' HD3' ' A' ' 22' ' ' LYS . 2.0 mp -69.11 136.99 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 138.16 55.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.71 122.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -165.04 135.64 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.541 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -153.31 173.1 16.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.27 79.38 0.65 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.651 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . . . -107.38 -44.95 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 -20.32 10.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -51.93 -35.24 45.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -78.77 -29.14 44.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.57 -20.8 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -52.09 -29.95 23.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -157.41 -85.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -119.95 162.49 19.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -109.43 95.42 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -1.18 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -82.0 -0.79 45.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.57 47.58 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.34 -32.45 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -21.46 63.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.61 ' HA2' HD11 ' A' ' 87' ' ' LEU . . . 96.01 35.53 5.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -89.66 165.62 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -79.64 -2.36 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.72 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.49 -13.31 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -85.93 -41.42 7.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -53.45 119.82 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.541 HG12 ' CE2' ' A' ' 110' ' ' PHE . 7.2 m -102.35 138.35 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.571 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 8.6 pt-20 -142.74 167.74 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 20' ' ' LEU . 21.8 mt -90.01 131.15 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -85.07 -68.58 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.542 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.8 t80 -71.91 160.52 32.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -142.88 149.47 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' A' ' 28' ' ' LEU . 15.3 m-85 -51.02 116.53 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.56 -178.46 0.42 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -58.71 -45.18 90.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -77.35 -31.37 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -60.83 -55.29 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -51.57 -32.98 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -75.89 -36.69 59.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.43 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.485 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.52 -28.29 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.16 60.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.2 p -100.48 -0.91 37.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.781 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.3 p -69.45 142.79 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.8 tmtt? -70.59 -59.53 3.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.781 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.2 Cg_endo -69.81 -164.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.13 23.41 13.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.633 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.1 pp -57.0 -36.01 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -51.99 -29.71 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HD3' HD11 ' A' ' 106' ' ' ILE . 3.8 mtpm? -55.43 -56.08 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.661 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.3 t -57.58 -39.74 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.41 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -58.47 -55.38 35.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.679 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.82 -42.49 89.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.92 73.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -49.29 -37.68 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.67 -43.37 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 26' ' ' ARG . 56.7 mt -54.81 -57.04 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.42 157.51 4.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.754 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.68 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.7 Cg_endo -69.74 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -107.81 123.62 48.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 168.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.706 ' CE2' HD12 ' A' ' 28' ' ' LEU . 15.4 p90 -145.44 140.89 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 75' ' ' ALA . 9.6 t -99.01 125.69 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.485 HG21 HD21 ' A' ' 13' ' ' LEU . 8.4 mm -63.27 139.32 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.9 t -106.52 -44.65 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -153.74 150.54 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -136.36 -59.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.88 144.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.38 151.37 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 -169.1 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.58 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 9.3 p -81.61 9.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.64 -28.91 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.73 -78.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -62.19 -15.9 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 44' ' ' VAL . . . -86.33 -52.98 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 6.34 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -22.82 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -9.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.77 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -52.24 -39.7 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.35 41.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 55' ' ' THR . 1.8 t -159.62 103.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.322 . . . . 0.0 111.129 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.8 p -94.61 -40.28 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -52.28 -43.09 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.14 36.33 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -65.31 96.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -177.24 63.87 0.2 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 64.74 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -111.61 28.87 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -56.53 -24.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -120.41 -167.3 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -101.19 -2.98 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -51.55 -35.42 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.8 mm -60.13 -38.74 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.6 p -95.77 8.43 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.39 24.35 22.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.525 ' HA ' HD23 ' A' ' 136' ' ' LEU . 6.6 m-20 -101.74 22.03 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.551 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -172.59 160.66 4.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.439 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.4 pp -150.2 157.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.33 149.77 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 93' ' ' VAL . 13.1 p90 -145.53 174.15 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.514 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -133.39 133.35 22.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 111.079 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.56 4.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.564 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.79 134.13 37.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.564 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.4 mp -151.06 139.69 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 59.3 33.28 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.15 18.61 69.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -147.51 157.43 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.53 132.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.77 82.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -88.04 -15.74 35.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -108.43 11.44 26.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.09 82.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 122' ' ' ASP . 4.0 pp -66.11 -21.78 66.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.55 ' N ' HD12 ' A' ' 87' ' ' LEU . 36.7 mt-10 -54.19 -64.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -56.35 -24.83 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.76 -27.39 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -74.24 -51.68 14.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.68 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -57.88 -29.92 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.474 HG11 ' CE1' ' A' ' 74' ' ' PHE . 42.1 t -78.68 -52.53 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 22.6 ttpp -72.55 -26.65 61.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.63 59.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.434 ' CD2' HG11 ' A' ' 134' ' ' VAL . 5.0 m-85 -72.41 -50.81 23.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.89 -42.17 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 4.1 pt20 -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.597 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.45 -43.98 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.8 74.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -42.45 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.06 -39.81 25.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.679 HD21 ' HD3' ' A' ' 26' ' ' ARG . 5.0 mt -77.34 -23.84 50.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.11 -11.46 65.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.661 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.4 mp -71.99 137.27 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 142.9 41.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -169.23 124.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.434 ' N ' HD13 ' A' ' 108' ' ' LEU . 2.3 mtt85 -160.17 136.13 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.455 ' CE1' HG12 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -102.19 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.74 126.18 28.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.92 8.92 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.06 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.13 -59.24 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -71.14 -31.54 67.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -57.29 -23.81 50.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.94 62.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -87.07 2.22 50.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.09 -103.49 0.27 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -179.65 118.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -161.18 99.47 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.14 -7.79 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.768 ' HB3' HD13 ' A' ' 87' ' ' LEU . 46.8 m-20 -75.0 -27.27 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 61.23 54.44 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' A' ' 122' ' ' ASP . 9.7 mm -80.69 -23.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -39.11 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.625 ' HB3' HG22 ' A' ' 128' ' ' THR . 13.8 mmm180 -97.56 -33.63 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.38 35.51 92.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.625 HG22 ' HB3' ' A' ' 126' ' ' ARG . 10.2 t -143.36 176.48 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -62.64 -14.78 47.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.624 ' H ' HG23 ' A' ' 128' ' ' THR . 7.4 t70 -41.71 105.81 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.88 -23.02 5.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.09 -36.89 60.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.457 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 18.6 t60 -53.57 119.47 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.455 HG12 ' CE1' ' A' ' 110' ' ' PHE . 16.8 m -102.34 135.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.551 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -137.49 166.08 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 20' ' ' LEU . 2.1 mm? -87.61 141.4 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 179.831 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.604 ' O ' HD21 ' A' ' 28' ' ' LEU . 8.0 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -145.22 155.23 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.88 113.27 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.73 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -36.17 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -77.52 -45.26 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -63.39 -54.19 40.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.05 -34.64 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -48.27 23.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.16 -49.34 32.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -74.98 -31.43 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -9.5 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -6.33 21.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -63.78 144.59 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.0 mptt -71.48 -60.5 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.78 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.0 24.2 12.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.729 ' HB3' HD11 ' A' ' 136' ' ' LEU . 2.8 pp -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -56.53 -29.72 62.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -53.39 -56.28 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.6 t -55.89 -37.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -52.02 67.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -59.05 -55.04 40.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.599 ' CD ' HD21 ' A' ' 104' ' ' LEU . 16.8 ttm-85 -58.49 -43.24 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.86 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.604 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.6 OUTLIER -49.02 -36.95 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.44 -50.99 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -50.55 -55.73 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.64 159.73 3.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.681 0.753 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.57 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 54.2 Cg_endo -69.8 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 1.4 m-85 -109.07 136.81 47.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.34 176.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.6 p90 -155.0 145.31 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -105.05 140.42 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 mm -79.14 138.29 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -108.19 -44.52 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -153.19 143.45 22.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -130.96 -57.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 tp -130.49 154.3 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.7 mm -55.71 -46.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -84.51 -1.05 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.36 27.47 65.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -107.75 22.02 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -163.95 158.97 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.533 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.7 161.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -118.74 139.63 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -139.04 175.04 9.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.78 133.99 20.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.55 4.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.499 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.01 131.51 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.1 mp -147.79 140.76 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 59.48 33.07 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.48 19.36 68.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.9 157.31 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.68 130.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.429 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.3 m-20 -108.91 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -93.73 -18.15 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.44 -25.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.42 69.37 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -22.29 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -51.97 -54.28 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -64.21 -32.42 74.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.01 -30.47 25.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -69.75 -44.76 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -71.36 -27.57 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -78.75 -52.41 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.98 -37.98 86.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -54.17 -28.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.2 -44.11 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.7 -34.46 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -76.37 -30.76 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -75.37 -32.15 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.08 -29.52 66.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -34.39 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.4 -39.65 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 100' ' ' ALA . 4.8 mt -82.54 -18.29 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.5 -10.07 65.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.528 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.2 mp -63.43 138.55 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 108.1 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.491 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 19.1 t60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -100.62 134.45 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 10.8 pt-20 -139.24 164.46 29.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.0 mp -76.93 140.22 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.847 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.948 0.404 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -145.64 148.25 32.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 28' ' ' LEU . 7.8 m-85 -54.45 114.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.76 176.64 5.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.22 -37.09 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -78.3 -45.3 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.21 -54.59 45.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -51.21 -35.98 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.1 OUTLIER -75.76 -32.04 59.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.25 -49.56 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.88 60.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.424 HG21 ' HE3' ' A' ' 11' ' ' LYS . 1.1 p -101.32 -2.86 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.5 p -67.12 143.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.77 -60.35 1.98 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.708 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.3 Cg_endo -69.75 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -112.87 17.37 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 18' ' ' PRO . 2.9 pp -52.82 -33.88 51.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -58.32 -29.86 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HD3' HD11 ' A' ' 106' ' ' ILE . 24.5 mtpp -52.46 -55.92 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.586 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.3 t -56.34 -40.24 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -57.01 -55.47 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.58 ' HD2' HD21 ' A' ' 104' ' ' LEU . 30.9 ttm-85 -59.79 -42.23 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.33 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -48.49 -38.55 20.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.6 -44.93 9.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.5 -59.61 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.606 ' CB ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -54.57 159.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.879 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.74 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.41 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.552 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -105.25 137.75 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.08 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -161.15 143.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -104.01 141.42 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.404 HG21 HD21 ' A' ' 13' ' ' LEU . 7.5 mm -84.65 138.91 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.36 -45.35 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.3 144.93 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -129.91 -58.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.31 141.38 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.105 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.8 mm -54.9 -44.28 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 t -87.93 -1.09 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.35 25.01 64.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -102.47 21.43 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -167.74 160.07 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -150.82 163.26 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.16 138.87 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -141.92 174.39 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.77 134.52 18.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.574 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -90.66 134.09 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.615 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.0 mp -149.11 137.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 t30 61.5 33.13 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.66 11.29 62.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -139.83 159.04 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.89 136.83 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.615 ' CB ' HD13 ' A' ' 78' ' ' ILE . 17.9 t0 -109.61 99.73 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -113.17 -15.4 12.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.28 -44.06 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.06 83.71 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -52.33 -59.54 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -63.07 -21.96 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -55.37 -25.81 37.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -65.12 -47.85 75.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.606 HG23 ' CB ' ' A' ' 31' ' ' SER . 4.7 p -79.77 -28.76 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -59.21 -32.94 70.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -65.99 -27.68 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.72 -32.48 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.53 -47.14 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.54 -31.86 65.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -76.06 -45.4 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.563 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.9 -37.68 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.66 -19.67 71.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -69.16 -55.01 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.77 -40.49 61.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' A' ' 26' ' ' ARG . 11.0 mt -69.54 -20.16 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.58 -0.2 77.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.586 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.7 mp -85.05 128.36 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 146.04 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 21.2 t60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.3 m -100.2 133.84 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.522 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -138.27 167.76 21.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 18' ' ' PRO . 39.5 mt -87.65 108.28 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.799 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.2 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -142.19 139.36 32.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -53.39 121.32 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.68 -169.12 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -76.39 -44.94 34.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -63.23 -53.24 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.47 -38.81 45.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -36.41 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.69 -50.56 71.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 mm? -75.67 -25.67 56.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -9.43 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.96 -13.2 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.769 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.1 p -56.42 144.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.63 -59.86 2.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.769 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.79 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.95 16.45 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.7 pp -52.59 -31.84 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.93 -29.92 67.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HD3' HD11 ' A' ' 106' ' ' ILE . 17.5 mtpt -51.42 -55.71 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.596 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.9 t -57.38 -40.12 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -58.09 -55.64 32.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.639 ' CD ' HD21 ' A' ' 104' ' ' LEU . 11.6 ttt180 -58.45 -44.04 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.99 68.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -47.88 -39.6 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.4 -45.94 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.2 mt -51.17 -59.6 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.2 157.54 4.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -103.51 135.47 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.78 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 7.8 p90 -163.1 138.02 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -99.13 135.81 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mm -73.56 139.49 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -107.74 -44.63 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -153.43 141.53 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -126.04 -58.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 16' ' ' VAL . 2.8 tp -131.73 154.96 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.9 mm -54.21 -42.01 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 70' ' ' ASP . 4.3 t -98.5 3.65 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.34 21.83 60.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.642 ' OD1' HD12 ' A' ' 136' ' ' LEU . 1.2 t0 -96.24 21.59 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -169.47 161.72 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.48 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -150.95 161.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.33 143.88 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -142.66 174.8 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.44 21.15 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.72 4.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.457 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.2 130.72 37.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.457 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.9 mp -147.49 140.92 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 59.53 33.13 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.39 19.08 68.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -148.07 160.51 42.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 130.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.42 90.62 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -99.72 -18.0 17.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -103.15 1.47 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.21 77.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -66.26 -21.66 66.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.03 -62.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -22.7 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -74.09 -32.47 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -67.69 -47.07 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.25 -28.23 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.37 -30.38 71.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -70.95 -28.43 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.82 -51.4 33.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.42 -32.28 73.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -76.28 -44.26 37.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.542 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.88 -37.05 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.07 -19.54 73.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.36 -54.09 33.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.712 0.291 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.639 HD21 ' CD ' ' A' ' 26' ' ' ARG . 14.5 mt -65.24 -23.28 67.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.35 -5.23 73.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.596 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.1 mp -80.79 124.21 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.466 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.38 134.13 55.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.469 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 48.8 t60 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.3 m -102.56 133.38 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.5 pt-20 -135.24 174.08 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.642 HD12 ' OD1' ' A' ' 70' ' ' ASP . 12.9 mt -89.18 119.46 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.8 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.944 0.402 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HA ' HD21 ' A' ' 28' ' ' LEU . 8.5 tptt -138.72 146.59 41.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.79 116.67 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.65 176.34 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -37.55 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -78.12 -45.13 24.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -57.29 -54.81 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.09 -34.97 32.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -33.53 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.59 -48.78 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -74.94 -28.54 60.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.03 -8.38 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.402 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.6 p -106.75 3.77 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.771 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.3 p -72.85 143.72 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -70.5 -60.75 3.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.1 Cg_endo -69.74 -164.7 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -113.03 23.48 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.637 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.2 pp -57.87 -36.46 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -52.28 -29.79 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -52.76 -55.63 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.696 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.6 t -58.54 -39.43 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.41 -54.45 46.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HD2' HD21 ' A' ' 104' ' ' LEU . 1.1 tpm_? -59.2 -41.02 87.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -34.66 75.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 4' ' ' LYS . 6.4 tp -48.86 -40.54 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.68 -47.25 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HG2' ' A' ' 26' ' ' ARG . 77.5 mt -50.78 -52.75 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -53.85 157.06 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.686 0.755 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.99 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.602 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -112.05 127.61 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.14 166.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 13.1 p90 -145.99 140.47 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -100.36 132.06 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.417 HG21 HD21 ' A' ' 13' ' ' LEU . 6.9 mm -76.64 139.17 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.8 t -104.2 -45.15 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.57 152.69 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.561 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -137.99 -58.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.405 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -132.03 144.83 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.35 -40.94 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.2 p -83.37 -4.41 58.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.405 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 61.18 16.6 49.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.41 ' HA ' HD23 ' A' ' 136' ' ' LEU . 1.6 p-10 -100.82 22.11 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.533 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -166.11 161.59 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.561 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.29 160.23 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.75 138.27 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -138.02 173.93 11.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.23 21.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HB3' HG11 ' A' ' 93' ' ' VAL . 53.9 Cg_endo -69.77 116.23 4.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.494 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -94.79 118.06 31.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -137.71 142.49 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 62.02 32.92 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.47 15.4 65.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -147.36 165.9 28.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.319 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.77 133.44 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.77 95.7 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -110.41 -15.37 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.92 -39.69 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.53 85.15 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.616 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.6 -20.93 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.32 -57.07 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.02 86.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -55.9 -29.54 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -74.31 -24.18 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.602 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.38 -47.37 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.479 HG11 ' HB3' ' A' ' 76' ' ' PRO . 2.9 p -62.57 -27.87 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.81 -40.86 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -56.56 -28.51 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.21 74.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.64 -54.17 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.37 -31.96 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.93 -30.99 58.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.642 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -67.52 -46.73 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.59 45.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -73.49 -55.83 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -38.81 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.561 HD21 ' HD2' ' A' ' 26' ' ' ARG . 5.3 mt -75.86 -29.5 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.09 -17.51 53.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.696 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.6 mp -65.8 133.37 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 143.57 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.9 t60 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.21 137.28 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.533 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 6.9 pt-20 -141.48 168.56 19.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 20' ' ' LEU . 2.2 mm? -83.68 129.65 34.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.595 ' O ' HD21 ' A' ' 28' ' ' LEU . 14.3 t80 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.941 0.401 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -142.68 145.87 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.74 117.42 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.05 -168.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.512 HD22 ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -78.75 -27.05 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.512 ' N ' HD22 ' A' ' 8' ' ' ASN . 14.0 m -68.75 -56.21 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.43 -35.32 38.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.2 OUTLIER -76.71 -36.31 57.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -58.15 -49.67 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.6 mm? -75.01 -27.46 60.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.14 -10.41 59.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.486 HG21 ' HE3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -103.01 0.91 32.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.778 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -70.99 145.35 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.15 -60.66 2.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.778 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.3 Cg_endo -69.72 -165.2 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.9 16.4 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.558 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.8 pp -51.44 -36.15 42.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.2 pp0? -53.06 -29.76 31.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.605 ' HD3' HD11 ' A' ' 106' ' ' ILE . 21.5 mtpt -53.21 -55.94 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 100' ' ' ALA . 5.6 t -56.34 -40.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.72 -55.41 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.726 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.97 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.595 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -48.18 -38.68 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.8 -45.73 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 26' ' ' ARG . 56.7 mt -51.97 -58.97 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.45 158.34 4.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -106.31 134.47 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.54 177.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 28' ' ' LEU . 9.0 p90 -154.21 142.67 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -101.97 137.4 40.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.402 HG21 HD21 ' A' ' 13' ' ' LEU . 7.9 mm -76.49 139.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.64 -44.77 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.69 141.57 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -122.95 -58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.446 HD13 ' H ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -131.95 141.19 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.108 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' H ' HD13 ' A' ' 41' ' ' ILE . 14.1 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.784 0.326 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.6 -22.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.0 p -100.72 5.6 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.87 24.9 43.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -103.78 21.76 15.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -173.73 164.44 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.514 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.62 160.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.88 142.76 46.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -142.39 174.73 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.27 133.71 18.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.65 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.546 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.76 130.31 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.5 mp -147.34 140.48 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 60.3 32.88 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.43 17.96 69.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -148.13 159.54 43.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.4 132.1 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.599 ' CB ' HD13 ' A' ' 78' ' ' ILE . 5.7 t0 -106.2 92.53 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -104.69 -17.35 14.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -92.07 -52.03 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 84.56 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.41 -21.56 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -51.22 -55.85 15.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -56.08 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -72.52 -28.9 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.77 -28.31 50.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.1 t -77.84 -52.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -54.97 -29.83 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -69.58 -27.87 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.07 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.83 -39.66 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -75.24 -34.38 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -76.22 -30.78 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -66.97 -50.57 61.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.09 -19.71 57.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -69.35 -53.08 21.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.29 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.1 -37.89 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.726 HD21 ' HD3' ' A' ' 26' ' ' ARG . 9.8 mt -68.83 -20.59 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.45 -4.18 74.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.605 HD11 ' HD3' ' A' ' 22' ' ' LYS . 1.7 mp -83.22 127.79 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 142.09 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.2 m -104.84 131.48 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.525 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.6 pt-20 -132.88 173.12 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' A' ' 20' ' ' LEU . 4.2 tp -94.02 132.45 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.651 ' O ' HD21 ' A' ' 28' ' ' LEU . 10.5 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.935 0.398 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -137.12 148.67 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.63 116.28 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.75 176.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -40.24 65.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -77.16 -45.78 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -51.02 -52.19 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.65 -37.05 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -29.23 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -66.23 -49.62 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.426 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.03 -28.02 60.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.39 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.416 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.8 p -101.12 -1.25 34.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.719 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.5 p -68.44 143.42 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 1.6 mptm? -72.51 -60.12 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.75 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.54 20.99 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.2 pp -56.12 -36.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -52.01 -29.88 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -52.62 -55.36 22.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 100' ' ' ALA . 4.8 t -56.18 -39.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.75 -55.34 35.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.756 ' HD2' HD21 ' A' ' 104' ' ' LEU . 5.5 mtt180 -57.88 -39.82 78.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.01 89.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -48.53 -37.37 17.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.91 -48.56 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.4 mt -51.7 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 157.71 4.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.694 0.759 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -48.64 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 128.03 54.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -54.71 174.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -149.24 145.54 27.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 t -103.65 133.93 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.426 HG21 HD21 ' A' ' 13' ' ' LEU . 7.7 mm -74.99 139.85 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.29 -44.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -153.96 147.84 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -135.04 -59.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.416 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.34 140.41 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.158 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' NH1' HD11 ' A' ' 67' ' ' ILE . 7.7 mmt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.518 HD11 ' NH1' ' A' ' 42' ' ' ARG . 4.7 mm -61.28 -38.49 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -86.75 0.27 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.57 19.17 40.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -101.89 21.51 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -166.2 158.93 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.593 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.21 163.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -122.03 140.89 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.86 174.99 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.31 132.06 20.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 114.84 3.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.56 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -88.91 131.13 35.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.619 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.2 mp -148.21 139.55 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 59.23 33.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 19.29 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -148.32 156.24 42.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.12 135.63 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.619 ' CB ' HD13 ' A' ' 78' ' ' ILE . 41.4 t0 -104.63 97.35 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -113.25 -16.56 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.19 -41.87 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 89.77 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -21.63 66.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -51.75 -59.85 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.41 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.47 -26.73 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -73.82 -38.29 64.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.97 -33.2 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.6 t -70.17 -52.46 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -63.86 -31.23 72.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -58.77 -28.02 65.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.49 -46.24 70.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -67.91 -36.9 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -76.46 -30.89 57.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.612 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -65.57 -56.17 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.91 59.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.36 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.15 -39.97 24.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.756 HD21 ' HD2' ' A' ' 26' ' ' ARG . 12.6 mt -64.29 -20.23 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.23 -2.16 77.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.4 mp -78.29 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 121.33 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.453 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 13.6 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -106.26 134.54 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.567 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.7 pt-20 -139.8 168.84 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 20' ' ' LEU . 4.8 mp -74.64 119.04 18.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.781 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.72 146.4 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.17 134.47 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.49 -171.15 43.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -38.39 91.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.15 -45.58 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -55.21 -53.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -50.61 -35.72 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.01 -32.63 59.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.33 -49.34 74.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.5 mm? -74.92 -27.72 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.16 -10.74 59.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.559 HG21 ' HE3' ' A' ' 11' ' ' LYS . 3.1 p -103.25 -4.79 23.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.775 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -63.3 143.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.1 mmtp -70.43 -60.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.79 -164.9 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.61 21.98 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.1 pp -57.66 -35.77 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.73 -29.8 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -55.97 -55.93 26.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.604 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.7 t -58.06 -39.06 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.7 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -59.58 -55.22 37.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.532 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.26 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.97 -33.43 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.93 -49.46 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -52.39 -55.2 23.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.52 158.89 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.81 177.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 11.5 p90 -155.72 139.47 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 75' ' ' ALA . 9.8 t -99.52 128.71 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG21 HD21 ' A' ' 13' ' ' LEU . 6.6 mm -71.53 139.62 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.84 -45.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -153.59 155.44 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.578 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -139.12 -58.28 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.0 145.57 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.09 -42.02 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.3 p -93.97 -1.14 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.97 19.42 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' HA ' HD13 ' A' ' 136' ' ' LEU . 2.3 p-10 -96.8 22.05 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 135' ' ' GLU . . . -167.15 161.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.578 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.92 157.31 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.49 144.91 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -145.21 174.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' ' CG2' ' A' ' 36' ' ' THR . . . -134.51 133.49 21.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.51 0.671 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.31 4.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.475 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.85 127.87 39.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.5 mp -146.22 142.36 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.01 65.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -146.68 162.42 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.07 131.78 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.51 85.61 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -93.68 -15.58 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -106.98 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.27 77.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -56.13 -60.91 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -57.53 -22.93 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.8 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -58.23 -21.07 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.97 -44.8 25.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -78.97 -29.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -60.77 -47.41 86.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -52.98 -28.48 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.52 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.37 -53.91 36.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.58 -32.2 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -75.89 -30.37 58.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.585 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -75.08 -30.01 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -32.89 64.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -73.0 -34.9 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.42 -40.48 21.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 100' ' ' ALA . 5.7 mt -81.45 -14.2 57.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.76 -0.11 78.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.604 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.9 mp -85.57 132.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 140.75 51.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.494 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 46.7 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.46 134.02 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -136.8 158.34 44.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.0 mp -70.56 142.26 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.469 HG13 ' OE2' ' A' ' 135' ' ' GLU . 4.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.498 ' O ' HD21 ' A' ' 28' ' ' LEU . 13.8 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -150.91 144.67 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.81 131.05 30.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.02 -169.96 28.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.55 94.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.83 -45.31 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.608 ' O ' HD22 ' A' ' 13' ' ' LEU . 14.1 t -55.78 -53.7 53.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.16 -37.26 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -31.56 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.14 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -75.21 -22.29 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.08 -10.77 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.95 -7.87 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.775 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.9 p -63.11 142.37 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 17.3 tptt -70.98 -59.12 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.75 -164.77 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.733 2.288 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.02 17.02 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.661 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -51.57 -36.01 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -29.71 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -51.96 -55.64 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.623 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.9 t -56.49 -39.13 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.01 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -60.51 -55.25 35.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HD2' HD21 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -57.75 -36.11 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -47.67 -34.85 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -91.31 -51.48 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -51.12 -57.51 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.18 154.81 7.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -107.12 130.79 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 178.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.519 ' CE2' HD12 ' A' ' 28' ' ' LEU . 12.7 p90 -155.74 138.34 15.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 75' ' ' ALA . 8.4 t -100.17 126.59 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.507 HG13 HD21 ' A' ' 13' ' ' LEU . 4.1 mm -68.14 139.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.0 -44.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.03 146.55 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -127.78 -57.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 16' ' ' VAL . 1.9 tp -131.33 150.72 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.427 ' N ' HD13 ' A' ' 67' ' ' ILE . 5.0 mm -58.56 -41.1 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -94.79 8.19 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.84 24.1 32.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -102.52 21.78 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.542 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -171.22 159.22 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.464 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.54 159.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -112.77 143.93 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -142.47 175.05 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -134.19 132.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 115.22 3.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.522 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.74 132.33 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.522 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.1 mp -148.07 140.51 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 59.59 33.11 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.07 66.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -145.48 160.33 41.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.3 127.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.439 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.8 m-20 -108.79 84.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -89.83 -16.23 30.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -100.35 -28.84 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 79.74 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.13 -20.46 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -57.87 -65.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -59.31 -20.04 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.76 -65.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -61.47 -15.89 41.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -78.34 -38.12 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.423 HG23 ' HD2' ' A' ' 33' ' ' TYR . 17.3 t -80.25 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -55.76 -29.54 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -54.58 -27.72 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.75 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.22 -41.36 77.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.56 -38.53 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -76.51 -34.69 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 104' ' ' LEU . . . -54.89 -47.4 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.19 -19.21 56.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -74.45 -56.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.08 -38.18 63.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.603 HD12 ' HB1' ' A' ' 100' ' ' ALA . 7.5 mt -77.85 -29.11 50.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.58 57.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.623 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.9 mp -63.8 134.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 135.11 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 23.7 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.871 0.367 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 m -103.84 132.16 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.542 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 11.3 pt-20 -135.92 169.98 16.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 20' ' ' LEU . 31.2 mt -91.61 139.05 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.616 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.945 0.402 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -135.55 146.99 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -52.25 115.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.12 -169.96 1.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -36.86 82.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -77.25 -45.1 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -61.51 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -51.69 -41.11 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -28.84 57.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -63.4 -51.16 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 mm? -75.5 -25.14 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.48 -12.89 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.08 -6.76 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.713 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.6 p -63.01 143.05 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.27 -59.9 2.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.2 Cg_endo -69.76 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 17.2 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.545 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.9 pp -51.9 -35.8 46.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' HD12 ' A' ' 20' ' ' LEU . 2.0 pp0? -56.33 -32.51 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -50.86 -45.86 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.611 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.9 t -66.91 -37.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -53.33 58.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.64 -48.57 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HD2' HD21 ' A' ' 104' ' ' LEU . 2.9 mtt180 -62.37 -32.35 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.04 78.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -49.36 -33.21 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.79 -52.8 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.41 -53.47 36.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 91.6 p -54.42 154.77 8.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 53.9 Cg_endo -69.77 -35.49 12.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.619 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -116.89 155.58 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.01 -177.4 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.475 ' CE2' HD12 ' A' ' 28' ' ' LEU . 7.4 p90 -164.48 137.27 4.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -99.01 131.12 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.34 138.77 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.8 t -105.63 -44.99 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -153.81 137.36 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.16 -58.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.29 143.12 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mm -59.28 -38.44 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.8 p -90.18 2.81 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.39 60.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.77 21.72 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.628 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -172.78 155.45 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.56 161.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -120.99 153.94 36.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -154.25 175.87 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.17 132.15 23.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HB3' HG11 ' A' ' 93' ' ' VAL . 53.4 Cg_endo -69.74 115.38 4.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.08 130.29 37.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.503 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.3 mp -147.0 141.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.18 33.35 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.69 19.41 67.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -147.97 159.55 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.8 130.92 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.421 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.2 m-20 -109.17 92.83 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -101.02 -15.49 17.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -113.29 13.73 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -116.8 79.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -66.64 -21.7 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.39 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -63.0 -21.84 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -53.7 -52.5 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -61.02 -30.07 70.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.509 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.4 HG11 ' HB3' ' A' ' 76' ' ' PRO . 4.5 p -78.07 -27.74 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -65.91 -31.93 73.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -71.75 -27.55 63.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.81 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.1 -44.39 84.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.85 -32.48 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -76.07 -30.89 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.611 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -68.25 -53.29 25.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.11 -19.88 57.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -65.72 -56.06 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.69 -38.93 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.718 HD21 ' HD2' ' A' ' 26' ' ' ARG . 12.7 mt -66.71 -17.32 64.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.46 -1.57 76.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.521 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.2 mp -82.73 126.04 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 135.67 57.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.628 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 52.3 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 m -104.86 139.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 5.2 pt-20 -145.5 156.61 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.16 132.13 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.834 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.669 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.6 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -142.88 148.8 37.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.29 117.63 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.47 -173.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.69 87.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -77.3 -45.98 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -56.57 -49.84 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.48 -41.22 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -29.06 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.15 -50.96 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -75.32 -26.51 58.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.75 -11.29 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -1.25 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.757 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.1 p -69.4 141.38 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 tttt -70.77 -58.91 4.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.548 0.689 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.757 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.74 -164.96 0.14 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.29 16.96 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.2 pp -51.9 -33.78 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -29.78 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -51.98 -56.18 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.597 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.3 t -56.37 -38.29 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.63 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -60.18 -55.2 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.683 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.09 -38.34 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.23 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -49.39 -36.56 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.89 -50.77 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -51.13 -57.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -54.31 155.68 6.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -102.93 147.65 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.51 -178.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.5 p90 -163.82 137.27 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' A' ' 75' ' ' ALA . 9.7 t -101.18 128.63 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.425 HG21 HD21 ' A' ' 13' ' ' LEU . 10.4 mm -63.34 139.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -106.17 -45.54 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -154.32 146.95 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -129.86 -59.77 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.71 150.16 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mm -57.57 -42.67 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.7 p -84.94 -1.99 57.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.61 16.9 46.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.99 21.57 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -164.57 156.11 15.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.5 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.4 pp -150.11 155.84 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -107.87 153.79 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -149.26 174.18 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 36' ' ' THR . . . -133.97 132.47 21.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.313 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.448 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -95.53 127.74 41.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.448 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.6 mp -145.85 142.92 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.7 t30 61.64 32.92 18.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.51 15.69 64.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -146.47 165.36 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.75 132.05 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -91.98 -15.86 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -106.17 10.58 31.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.0 77.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -65.99 -22.59 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.95 -61.64 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -55.25 -24.9 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -36.52 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -66.14 -26.99 67.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 33' ' ' TYR . . . -78.16 -47.29 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.62 -27.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -36.35 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -73.14 -27.92 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.77 -33.25 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CD1' HG11 ' A' ' 134' ' ' VAL . 3.0 m-85 -70.82 -54.25 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.54 -33.62 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -76.17 -43.42 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -56.31 -38.66 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.92 -20.02 72.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -68.97 -54.39 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -75.62 -40.7 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.683 HD21 ' CD ' ' A' ' 26' ' ' ARG . 10.5 mt -69.75 -26.23 64.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.3 64.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.597 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.4 mp -67.6 127.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 113.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 t60 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.476 HG11 ' CD1' ' A' ' 97' ' ' PHE . 6.0 m -99.2 140.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.565 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 4.6 pt-20 -145.27 166.65 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mp -82.59 121.06 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.826 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -141.33 141.38 33.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -51.98 121.18 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -168.89 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.02 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -77.78 -45.51 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -60.95 -48.22 82.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.94 -43.89 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.04 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.539 ' NE2' ' H ' ' A' ' 40' ' ' GLY . 7.0 mm100 -61.01 -53.04 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -76.28 -32.67 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.566 ' CG2' HG21 ' A' ' 41' ' ' ILE . 2.3 m -98.78 -22.11 16.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.807 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -46.1 143.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 11.9 tptp -71.75 -58.99 3.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.807 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.79 -165.43 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.254 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.47 15.78 20.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.2 pp -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -29.65 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' HD3' HD11 ' A' ' 106' ' ' ILE . 13.9 mtpt -50.76 -55.77 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.618 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.0 t -56.93 -40.57 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.68 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -57.37 -55.49 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.742 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.87 -45.8 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.4 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.6 -41.84 43.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.11 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 26' ' ' ARG . 61.7 mt -50.88 -59.78 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.31 157.52 4.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' HD2' HG23 ' A' ' 93' ' ' VAL . 1.3 m-85 -103.08 133.07 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.01 -177.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.72 139.46 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -99.73 140.0 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mm -78.66 136.67 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -45.02 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -154.14 131.97 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.539 ' H ' ' NE2' ' A' ' 12' ' ' GLN . . . -116.42 -58.42 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.566 HG21 ' CG2' ' A' ' 15' ' ' THR . 7.1 tp -133.55 152.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.8 mm -59.27 -39.1 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -90.65 1.35 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.29 17.08 45.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -97.2 22.31 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -168.64 157.45 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -150.52 163.83 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.86 141.32 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.53 175.0 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.74 134.56 19.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.83 4.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.557 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.56 131.46 35.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.572 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.1 mp -148.58 140.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' CG ' HG22 ' A' ' 78' ' ' ILE . 33.7 m-20 60.82 32.74 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.71 15.47 66.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 162.01 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.07 135.43 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' HD13 ' A' ' 78' ' ' ILE . 53.9 t0 -107.28 97.9 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -113.47 -16.51 12.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.75 -44.68 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.33 88.51 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.63 -21.28 66.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.77 -54.21 20.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB3' ' OD2' ' A' ' 83' ' ' ASP . . . -63.46 -37.78 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.63 -25.8 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -74.14 -40.52 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.55 -47.18 56.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 33' ' ' TYR . 40.7 t -58.97 -52.46 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -37.31 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -27.1 38.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.26 -29.1 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.56 -40.19 80.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.41 -35.62 60.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -76.41 -34.16 58.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -63.31 -39.59 94.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.57 -19.83 73.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -73.42 -46.32 49.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.21 -41.26 22.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.742 HD21 ' HD3' ' A' ' 26' ' ' ARG . 6.6 mt -72.18 -23.17 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.82 -11.9 63.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.4 mp -71.58 124.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 111.121 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.25 131.96 51.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.516 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 25.7 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -105.57 136.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 5.2 pt-20 -138.15 167.06 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 107' ' ' LYS . 13.0 mt -83.52 119.36 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.92 0.39 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -151.43 148.19 27.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -52.44 140.51 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.55 -171.14 47.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.436 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.4 89.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.22 -45.36 26.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 t -52.88 -54.14 38.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -50.61 -34.53 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.21 -33.01 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.92 -48.34 76.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -75.22 -30.28 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -14.04 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.413 ' HB ' HG21 ' A' ' 41' ' ' ILE . 3.2 p -99.19 -4.09 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.702 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.3 p -65.01 143.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -73.23 -59.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.702 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.75 -165.01 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -111.64 16.45 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.698 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -52.68 -34.37 51.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.91 -29.69 65.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -53.86 -56.47 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 ' CG2' HD12 ' A' ' 104' ' ' LEU . 1.8 t -61.37 -34.74 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.79 64.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -62.4 -50.51 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.47 -32.09 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.29 87.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -47.49 -33.96 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.93 -50.24 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.17 -55.47 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.6 159.41 3.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -108.33 138.14 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -176.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 28' ' ' LEU . 6.6 p90 -160.1 141.15 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -100.64 132.83 45.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.99 139.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -104.48 -45.73 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -154.28 151.72 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -135.32 -59.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.417 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -133.27 143.03 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 111.164 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.793 0.33 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.415 HG12 ' H ' ' A' ' 67' ' ' ILE . 8.7 mm -53.7 -44.11 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -99.14 7.98 45.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 60.66 21.51 58.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.25 22.6 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.608 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -169.7 158.43 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.6 161.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -119.02 150.67 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -155.42 174.72 14.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.79 135.76 22.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.2 121.0 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.97 141.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 59.73 34.01 21.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.34 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -145.88 159.15 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.02 135.42 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -105.3 98.1 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -113.76 -15.3 12.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -96.91 -52.61 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.14 87.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -21.47 66.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -54.02 -67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -29.26 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -73.63 -41.55 62.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.97 -52.76 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -60.7 -29.86 69.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.51 -28.34 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.74 -30.94 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.46 -50.38 52.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.29 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -76.12 -38.97 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.506 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -54.85 -51.39 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.46 -19.99 28.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -39.62 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.03 -36.98 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.529 HD12 ' CG2' ' A' ' 23' ' ' VAL . 14.3 mt -87.9 -19.84 26.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.82 -15.11 58.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.408 ' HB ' HG23 ' A' ' 23' ' ' VAL . 3.0 mp -61.83 136.12 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 125.76 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.608 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 52.6 t60 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.8 137.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.536 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 5.1 pt-20 -144.3 159.91 41.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.698 HD21 ' HB3' ' A' ' 20' ' ' LEU . 4.4 mm? -65.03 137.09 57.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.817 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -149.94 144.23 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -57.25 127.47 32.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 173.87 46.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -50.41 -32.93 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.833 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 4.5 p30 -81.06 -45.97 15.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 m -59.97 -53.38 58.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -49.92 -37.53 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -76.16 -32.51 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -61.78 -49.22 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 mm? -74.25 -29.49 61.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.55 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -107.28 0.7 23.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.797 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.4 p -65.52 149.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.07 -62.13 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.797 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.1 Cg_endo -69.74 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -110.5 22.33 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.788 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.6 pp -60.03 -35.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' HD12 ' A' ' 20' ' ' LEU . 19.8 pt20 -52.14 -29.91 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.81 -54.18 49.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.645 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.4 t -58.7 -40.27 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.79 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.34 -55.48 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.706 ' HD2' HD21 ' A' ' 104' ' ' LEU . 7.8 ttm180 -58.03 -38.86 77.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.42 85.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -34.33 13.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.15 -51.91 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.6 mt -51.21 -54.06 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -59.42 156.34 31.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.758 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.77 -45.13 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.618 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 3.0 m-85 -108.58 137.75 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.16 176.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 21.8 p90 -149.02 138.29 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -94.67 134.54 37.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.406 HG21 HD21 ' A' ' 13' ' ' LEU . 4.5 mm -85.66 140.52 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -104.44 -45.2 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -154.53 162.9 40.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.07 -58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.54 151.11 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.795 0.331 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.8 mm -53.09 -39.69 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.98 13.57 20.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.22 29.97 60.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.93 21.5 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.54 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -174.59 171.47 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.625 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.49 156.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.45 135.96 45.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.64 165.22 30.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.23 137.25 16.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 116.1 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.39 140.11 30.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.503 HD12 ' C ' ' A' ' 77' ' ' TYR . 2.1 mp -153.55 134.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.74 33.09 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.64 73.73 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.75 150.7 35.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.09 132.86 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.456 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.6 m-20 -113.13 87.64 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -95.37 -19.99 19.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -98.61 -38.98 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.46 78.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -66.59 -24.15 66.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -51.93 -58.75 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -71.25 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.78 -44.37 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -53.79 -27.18 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.758 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -77.92 -33.82 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' TYR . 41.0 t -79.33 -52.79 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -43.73 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.3 -33.46 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -68.1 -44.04 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.19 -32.61 61.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -76.42 -37.75 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.645 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -62.53 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -20.9 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -73.25 -55.86 5.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.91 -38.26 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.706 HD21 ' HD2' ' A' ' 26' ' ' ARG . 7.1 mt -75.84 -15.31 60.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.61 1.18 76.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 104' ' ' LEU . 1.4 mp -79.74 138.38 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HB2' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.92 137.45 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 134' ' ' VAL . 21.2 m -145.44 125.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.54 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 10.4 pt-20 -130.23 169.06 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.6 mp -81.54 145.45 30.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -142.76 148.23 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -55.32 119.6 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.33 -174.11 2.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.28 82.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -77.26 -45.21 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.3 -52.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -50.48 -39.82 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.563 ' NZ ' HG21 ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.69 -35.29 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -56.28 -51.51 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.426 HD12 HG21 ' A' ' 72' ' ' ILE . 2.6 mm? -75.68 -26.62 57.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 -6.21 50.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.563 HG21 ' NZ ' ' A' ' 11' ' ' LYS . 2.0 p -108.03 3.37 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.785 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.4 p -70.28 148.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -72.86 -61.96 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.937 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.76 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -111.65 25.13 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.692 HD11 ' CG2' ' A' ' 72' ' ' ILE . 2.2 pp -61.36 -34.32 75.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -56.34 -29.79 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -54.34 -55.63 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.8 t -57.92 -38.99 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.51 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -60.26 -55.13 37.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -57.53 -38.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.14 -32.89 10.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.54 -49.63 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 100' ' ' ALA . 52.3 mt -50.83 -60.43 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.447 ' OG ' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -54.75 160.7 2.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.651 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -103.86 152.49 21.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.67 172.63 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.8 p90 -144.01 140.17 29.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -93.66 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.55 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -104.53 -45.23 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -154.56 154.44 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.82 -58.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.676 HD13 ' HA ' ' A' ' 16' ' ' VAL . 2.0 tp -132.52 155.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.6 mm -54.88 -40.53 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.1 p -101.51 6.74 42.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.505 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 56.09 27.57 51.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -94.89 22.17 6.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.29 160.09 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.692 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -141.0 162.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.08 138.39 49.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -149.32 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.62 136.88 24.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.733 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.583 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.31 138.99 31.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.641 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.0 mp -152.62 134.9 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 59.05 33.04 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.82 18.77 74.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.06 149.22 31.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.62 135.62 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.641 ' CB ' HD13 ' A' ' 78' ' ' ILE . 35.5 t0 -105.65 92.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -108.19 -18.8 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -96.42 -50.72 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.22 86.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 90' ' ' PHE . 2.2 pt? -65.9 -20.06 66.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.75 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -59.88 -21.24 60.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.446 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 1.1 t80 -51.69 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 91' ' ' TRP . 1.6 p90 -62.51 -14.89 46.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -71.81 -48.99 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.447 HG23 ' OG ' ' A' ' 31' ' ' SER . 3.0 p -81.92 -35.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -39.49 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -53.38 -27.56 24.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.86 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.72 -46.13 76.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.38 -34.93 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.17 -48.23 52.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.633 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.65 -28.46 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.64 -26.34 74.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -35.09 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.52 -35.6 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 100' ' ' ALA . 4.2 mt -88.76 -11.06 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.97 2.43 71.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.584 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.8 mp -86.91 124.63 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.79 148.98 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 134' ' ' VAL . 28.1 m -120.11 124.86 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -119.04 165.86 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.645 HD11 ' CD2' ' A' ' 20' ' ' LEU . 5.0 mp -87.64 105.23 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.883 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.5 ' O ' HD21 ' A' ' 28' ' ' LEU . 23.8 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.961 0.41 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -135.88 144.57 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -51.86 111.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.41 -168.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -37.61 86.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -77.45 -41.4 39.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -66.23 -53.11 40.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -51.44 -42.57 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -28.9 58.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.62 -52.38 63.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -75.24 -24.83 57.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.05 -9.52 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.44 -7.19 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.741 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -62.51 142.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -71.19 -59.76 3.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.741 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.73 16.39 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.4 pp -52.87 -31.5 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.17 -29.9 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -52.24 -55.99 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.5 t -56.95 -39.79 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.75 68.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -57.51 -55.46 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.648 ' HD2' HD21 ' A' ' 104' ' ' LEU . 8.6 ttm180 -59.52 -41.81 90.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.07 -41.67 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.7 OUTLIER -47.98 -38.15 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.91 -45.19 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.16 -58.05 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.64 159.47 3.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -105.57 138.19 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.63 171.04 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 9.3 p90 -148.15 145.02 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -105.74 127.24 52.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.24 140.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.79 -45.66 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -154.3 147.0 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -132.55 -59.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.51 148.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.439 HG12 ' H ' ' A' ' 67' ' ' ILE . 6.7 mm -53.93 -44.05 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 p -91.13 -2.03 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.65 23.29 66.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.83 21.82 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -167.41 159.93 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.5 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.67 161.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.9 147.93 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -146.79 175.04 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.05 133.29 23.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.532 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.0 131.57 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.532 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.0 mp -148.39 140.44 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.9 t30 59.7 32.92 21.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.04 69.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -148.07 157.57 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.01 130.11 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.428 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.4 m-20 -108.17 86.36 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -92.88 -17.62 23.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -109.88 11.68 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -118.18 69.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.51 -21.81 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.77 -60.89 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -67.4 -24.45 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.78 -34.75 73.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -74.03 -23.59 59.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.537 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -78.17 -46.85 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -72.18 -29.04 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -65.52 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -67.7 -28.36 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.25 68.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.38 -47.1 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.74 -31.76 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.06 -45.3 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -54.88 -38.96 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.86 70.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -70.74 -55.88 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.76 -39.44 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.648 HD21 ' HD2' ' A' ' 26' ' ' ARG . 9.4 mt -73.08 -25.61 60.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.42 68.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.0 mp -71.25 130.22 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 143.9 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.421 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 58.2 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -100.77 136.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.493 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 6.7 pt-20 -138.71 170.42 16.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 20' ' ' LEU . 40.9 mt -93.42 114.75 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.493 ' O ' HD21 ' A' ' 28' ' ' LEU . 33.7 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.376 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.0 137.51 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -51.85 114.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -176.86 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -35.78 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -77.56 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 m -61.68 -54.6 40.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -51.21 -35.07 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.11 61.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -58.81 -48.18 82.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.6 mm? -76.48 -35.1 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.98 -12.2 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.7 ' CG2' HG21 ' A' ' 41' ' ' ILE . 1.3 m -101.99 -21.55 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.826 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.0 p -45.03 150.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -73.42 -61.8 1.34 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.921 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.826 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.9 Cg_endo -69.77 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.87 16.33 21.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.571 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.7 pp -51.16 -30.52 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -56.24 -33.73 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -51.17 -55.71 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.3 t -57.69 -37.75 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -59.99 -53.78 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HD2' HD21 ' A' ' 104' ' ' LEU . 7.5 mtt180 -59.16 -39.16 81.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.94 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -49.2 -37.11 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.08 -50.18 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.2 mt -50.93 -55.14 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.57 159.37 3.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -110.99 133.23 53.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.49 172.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 12.9 p90 -147.91 143.65 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 75' ' ' ALA . 8.6 t -103.83 126.73 51.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mm -67.81 139.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.78 -40.75 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -153.0 136.16 15.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -123.21 -59.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.7 HG21 ' CG2' ' A' ' 15' ' ' THR . 8.7 tp -133.83 153.18 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.742 0.306 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.6 mm -60.62 -37.74 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.4 p -91.51 2.45 56.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.99 42.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.02 21.75 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -170.54 160.55 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.444 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -151.14 158.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -117.62 136.26 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -135.8 174.56 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -130.26 131.17 23.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.42 4.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.552 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.01 135.7 33.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.603 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.5 mp -150.46 134.34 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.13 32.74 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.56 8.91 64.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -138.18 155.9 48.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.05 132.45 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.603 ' CB ' HD13 ' A' ' 78' ' ' ILE . 3.7 t0 -106.76 94.42 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -106.61 -15.72 14.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.642 ' O ' HD12 ' A' ' 87' ' ' LEU . 9.3 m120 -96.32 -52.07 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.62 83.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 85' ' ' ASN . 3.5 mp -66.57 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -50.0 -46.18 52.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . -80.07 -20.4 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.23 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -63.15 -15.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -71.88 -40.69 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.061 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -79.61 -51.52 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -51.1 -29.76 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -54.09 -27.76 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.86 -29.85 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -67.75 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -74.04 -36.62 64.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -76.53 -31.32 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.619 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -64.7 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.55 -20.51 51.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -66.55 -54.75 20.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.13 -37.94 28.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.619 HD21 ' HD2' ' A' ' 26' ' ' ARG . 9.0 mt -69.25 -25.29 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.32 -11.21 63.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.6 mp -65.67 137.11 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 122.66 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.42 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 34.9 t60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.5 m -102.1 132.95 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 17.5 pt-20 -138.1 159.73 41.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 20' ' ' LEU . 2.7 mp -68.58 146.29 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.815 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -140.37 138.31 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' A' ' 28' ' ' LEU . 9.1 m-85 -51.73 116.95 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.11 174.55 4.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.62 46.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -45.74 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -56.95 -54.4 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.0 -35.28 33.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -75.9 -33.88 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.31 -49.3 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.5 mm? -74.98 -28.1 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.95 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -102.38 -2.49 28.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.704 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.0 p -64.29 146.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.52 -61.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.704 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.3 Cg_endo -69.87 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.68 21.33 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.703 HD11 ' CG2' ' A' ' 72' ' ' ILE . 2.3 pp -58.03 -33.82 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.43 -29.77 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HD3' HD11 ' A' ' 106' ' ' ILE . 29.5 mtpt -52.93 -54.99 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 100' ' ' ALA . 5.2 t -57.76 -42.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.58 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -56.03 -55.38 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.835 ' HD2' HD21 ' A' ' 104' ' ' LEU . 18.1 ttt85 -60.56 -44.98 95.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.48 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' A' ' 5' ' ' PHE . 3.9 tp -49.76 -41.34 43.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -45.79 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -50.48 -58.78 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -54.1 154.43 7.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.75 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.688 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.6 Cg_endo -69.81 -37.54 8.9 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 2.0 m-85 -115.47 126.06 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.93 172.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 14.7 p90 -146.67 143.71 28.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -99.33 137.04 38.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mm -85.92 139.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 t -104.01 -45.18 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -154.89 159.12 40.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 -59.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.446 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -133.81 141.38 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.737 0.303 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.7 mm -60.95 -39.48 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -85.1 -0.75 55.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 60.35 24.5 61.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -97.81 22.18 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.803 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' A' ' 135' ' ' GLU . . . -170.46 161.91 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.703 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -146.23 156.19 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.14 138.46 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -153.5 161.48 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.15 140.28 34.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.36 5.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.559 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.2 139.84 30.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.665 HD13 ' CB ' ' A' ' 83' ' ' ASP . 2.6 mp -153.11 133.07 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.58 33.04 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.44 17.55 74.57 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -147.27 149.35 32.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.444 HG21 ' NE1' ' A' ' 84' ' ' TRP . 2.0 mp -57.66 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.665 ' CB ' HD13 ' A' ' 78' ' ' ILE . 24.7 t0 -110.5 98.04 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.444 ' NE1' HG21 ' A' ' 82' ' ' ILE . 30.2 m95 -110.7 -15.18 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -104.66 -50.32 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 84.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.06 -21.48 65.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -50.67 -58.91 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -71.26 -21.82 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -69.35 -24.42 63.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.688 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -78.51 -47.15 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 t -66.19 -52.31 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -54.44 -33.31 59.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.52 -25.63 60.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.76 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -66.48 -41.9 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -75.79 -33.91 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -75.97 -32.97 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.664 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -66.55 -43.67 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.57 -19.86 65.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.57 -56.11 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.54 -39.34 67.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.835 HD21 ' HD2' ' A' ' 26' ' ' ARG . 7.1 mt -73.19 -19.36 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.57 -0.22 77.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.6 mp -84.23 128.73 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 149.55 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.425 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 3.8 t60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 134' ' ' VAL . 33.7 m -141.06 127.69 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.677 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 1.6 pp20? -123.42 172.18 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 20' ' ' LEU . 1.9 mm? -91.09 123.12 34.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.463 ' O ' HD21 ' A' ' 28' ' ' LEU . 12.2 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -138.97 144.24 38.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -52.0 117.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 -173.81 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.81 -38.74 82.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -77.43 -45.76 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.8 m -53.39 -54.38 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.44 -35.49 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.94 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -64.05 -48.69 75.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.445 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.64 -29.01 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -10.66 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -102.92 5.96 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.754 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -76.08 144.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.02 -60.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.3 Cg_endo -69.74 -164.61 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.742 2.295 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.45 23.45 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.625 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -57.48 -36.47 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -52.8 -29.62 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -53.79 -56.17 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.589 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.7 t -58.03 -39.45 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -51.89 68.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -59.43 -55.35 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.647 ' HD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mtt-85 -58.31 -39.2 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.87 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.463 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -48.95 -37.2 19.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.16 -51.29 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -50.36 -55.67 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 159.52 3.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.707 0.765 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.534 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -109.22 134.99 51.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.38 171.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -146.53 147.24 30.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -106.12 130.89 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.445 HG21 HD21 ' A' ' 13' ' ' LEU . 6.4 mm -73.54 139.34 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.02 -44.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -154.08 147.72 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.583 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -133.59 -58.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.39 145.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 67' ' ' ILE . 5.3 mm -59.35 -40.54 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.5 p -87.33 0.7 55.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.97 20.3 40.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.03 22.34 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.55 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -167.2 160.39 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.583 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -149.93 163.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.53 138.58 53.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -140.38 174.62 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.81 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.4 4.08 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.576 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.21 132.16 36.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.632 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.9 mp -149.31 138.32 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 m120 59.48 32.67 21.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.67 18.56 72.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -148.38 154.51 40.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.88 133.3 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.632 ' CB ' HD13 ' A' ' 78' ' ' ILE . 29.2 t0 -101.89 90.8 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -106.21 -19.87 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.3 -45.24 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.4 84.87 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.36 -21.31 66.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -50.02 -46.9 53.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.79 71.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.52 -33.97 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -74.28 -26.54 60.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -73.44 -47.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.5 -27.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -63.33 -44.21 95.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.68 -28.08 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.38 -31.75 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.38 -47.06 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.75 -31.48 63.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -75.79 -46.42 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.34 -30.21 50.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.6 -20.01 71.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -80.67 -34.59 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.42 -35.19 27.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 100' ' ' ALA . 1.9 mt -90.14 -19.37 24.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.66 -11.52 63.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.589 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.8 mp -64.23 138.33 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 125.02 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 9.6 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 m -104.84 133.77 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.55 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 17.8 pt-20 -138.98 168.11 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -73.56 109.19 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.811 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.449 ' O ' HD21 ' A' ' 28' ' ' LEU . 13.5 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.96 0.41 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -139.49 144.31 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.76 116.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.36 -167.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -77.65 -37.34 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.663 ' O ' HD22 ' A' ' 13' ' ' LEU . 66.2 m -67.57 -54.5 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -51.59 -43.48 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -28.69 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -53.88 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -75.12 -26.76 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -13.59 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.36 6.88 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.785 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.3 p -76.62 148.97 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -74.83 -61.78 1.01 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.76 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.67 18.12 18.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HB3' HD21 ' A' ' 136' ' ' LEU . 3.6 pp -51.37 -35.77 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.97 -29.66 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.665 ' HD3' HD11 ' A' ' 106' ' ' ILE . 5.1 mtpm? -52.4 -56.09 17.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.645 HG13 ' HB3' ' A' ' 100' ' ' ALA . 2.9 t -56.22 -39.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.38 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -58.4 -55.07 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.656 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -59.9 -37.05 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.45 86.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -48.89 -36.58 17.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.83 -49.54 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 mt -50.84 -53.27 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.622 ' CB ' HG23 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -54.54 160.22 2.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.1 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.499 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -115.08 131.9 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.26 169.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.1 p90 -145.25 145.04 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -102.09 131.04 48.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.71 138.8 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.29 -44.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -153.55 144.88 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -126.61 -57.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 tp -130.35 154.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.501 HD12 ' H ' ' A' ' 67' ' ' ILE . 4.7 mp -61.33 -38.14 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -82.75 -1.28 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.3 48.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.75 15.32 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -164.45 160.31 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.477 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -150.04 157.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -110.69 143.48 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -142.71 174.55 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.49 132.92 17.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.736 2.29 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.465 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.77 132.43 36.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.465 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.3 mp -149.4 137.33 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' HG22 ' A' ' 78' ' ' ILE . 33.9 m-20 61.36 32.88 19.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.69 14.23 67.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -143.44 156.78 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.44 133.61 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.24 90.92 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -103.36 -15.48 15.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -101.48 -24.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 85.47 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.68 -21.84 66.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -50.56 -45.78 57.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.62 -65.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -61.32 -17.96 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -69.86 -47.15 63.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.622 HG23 ' CB ' ' A' ' 31' ' ' SER . 4.1 p -79.01 -27.99 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.58 -43.23 93.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -28.19 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 -31.75 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD2' HG11 ' A' ' 134' ' ' VAL . 5.0 m-85 -68.78 -54.26 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.21 -34.75 77.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -76.33 -33.47 59.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.645 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -63.29 -41.88 99.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.31 -19.76 68.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -47.81 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.05 -38.38 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.656 HD21 ' CD ' ' A' ' 26' ' ' ARG . 6.0 mt -76.07 -24.88 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.74 -13.06 61.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.665 HD11 ' HD3' ' A' ' 22' ' ' LYS . 2.0 mp -69.11 136.99 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 138.16 55.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 t60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.45 HG11 ' CD2' ' A' ' 97' ' ' PHE . 7.2 m -102.35 138.35 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.571 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 8.6 pt-20 -142.74 167.74 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 20' ' ' LEU . 21.8 mt -90.01 131.15 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.542 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.8 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -142.88 149.47 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' A' ' 28' ' ' LEU . 15.3 m-85 -51.02 116.53 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.56 -178.46 0.42 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -58.71 -45.18 90.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -77.35 -31.37 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.482 ' N ' HD22 ' A' ' 8' ' ' ASN . 4.7 m -60.83 -55.29 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -51.57 -32.98 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -75.89 -36.69 59.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.43 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.485 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.52 -28.29 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.16 60.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.2 p -100.48 -0.91 37.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.781 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.3 p -69.45 142.79 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.8 tmtt? -70.59 -59.53 3.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.781 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.2 Cg_endo -69.81 -164.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.13 23.41 13.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.633 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.1 pp -57.0 -36.01 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -51.99 -29.71 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HD3' HD11 ' A' ' 106' ' ' ILE . 3.8 mtpm? -55.43 -56.08 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.661 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.3 t -57.58 -39.74 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.41 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -58.47 -55.38 35.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.679 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.82 -42.49 89.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.92 73.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -49.29 -37.68 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.67 -43.37 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 26' ' ' ARG . 56.7 mt -54.81 -57.04 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.42 157.51 4.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.754 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.68 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.7 Cg_endo -69.74 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -107.81 123.62 48.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 168.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.706 ' CE2' HD12 ' A' ' 28' ' ' LEU . 15.4 p90 -145.44 140.89 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 75' ' ' ALA . 9.6 t -99.01 125.69 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.485 HG21 HD21 ' A' ' 13' ' ' LEU . 8.4 mm -63.27 139.32 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.9 t -106.52 -44.65 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -153.74 150.54 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -136.36 -59.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.88 144.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.8 mm -60.13 -38.74 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.6 p -95.77 8.43 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.39 24.35 22.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.525 ' HA ' HD23 ' A' ' 136' ' ' LEU . 6.6 m-20 -101.74 22.03 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.551 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -172.59 160.66 4.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.439 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.4 pp -150.2 157.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.33 149.77 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 93' ' ' VAL . 13.1 p90 -145.53 174.15 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.514 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -133.39 133.35 22.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 111.079 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.56 4.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.564 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.79 134.13 37.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.564 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.4 mp -151.06 139.69 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 59.3 33.28 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.15 18.61 69.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -147.51 157.43 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.53 132.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.77 82.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -88.04 -15.74 35.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -108.43 11.44 26.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.09 82.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 88' ' ' GLU . 4.0 pp -66.11 -21.78 66.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.55 ' N ' HD12 ' A' ' 87' ' ' LEU . 36.7 mt-10 -54.19 -64.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -56.35 -24.83 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.76 -27.39 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -74.24 -51.68 14.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.68 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -57.88 -29.92 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.474 HG11 ' CE1' ' A' ' 74' ' ' PHE . 42.1 t -78.68 -52.53 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 22.6 ttpp -72.55 -26.65 61.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.63 59.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.434 ' CD2' HG11 ' A' ' 134' ' ' VAL . 5.0 m-85 -72.41 -50.81 23.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.89 -42.17 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 4.1 pt20 -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.597 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.45 -43.98 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.8 74.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -42.45 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.06 -39.81 25.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.679 HD21 ' HD3' ' A' ' 26' ' ' ARG . 5.0 mt -77.34 -23.84 50.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.11 -11.46 65.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.661 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.4 mp -71.99 137.27 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 142.9 41.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.457 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 18.6 t60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 97' ' ' PHE . 16.8 m -102.34 135.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.551 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -137.49 166.08 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 20' ' ' LEU . 2.1 mm? -87.61 141.4 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 62.83 38.86 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.604 ' O ' HD21 ' A' ' 28' ' ' LEU . 8.0 t80 -54.09 155.15 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -145.22 155.23 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.88 113.27 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.73 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -36.17 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -77.52 -45.26 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -63.39 -54.19 40.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.05 -34.64 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -48.27 23.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.16 -49.34 32.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -74.98 -31.43 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -9.5 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -6.33 21.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -63.78 144.59 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.0 mptt -71.48 -60.5 2.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.78 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.0 24.2 12.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.729 ' HB3' HD11 ' A' ' 136' ' ' LEU . 2.8 pp -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -56.53 -29.72 62.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -53.39 -56.28 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.6 t -55.89 -37.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -52.02 67.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -59.05 -55.04 40.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.599 ' CD ' HD21 ' A' ' 104' ' ' LEU . 16.8 ttm-85 -58.49 -43.24 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.86 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.604 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.6 OUTLIER -49.02 -36.95 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.44 -50.99 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -50.55 -55.73 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.64 159.73 3.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.681 0.753 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.57 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 54.2 Cg_endo -69.8 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 1.4 m-85 -109.07 136.81 47.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.34 176.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.6 p90 -155.0 145.31 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -105.05 140.42 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 mm -79.14 138.29 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -108.19 -44.52 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -153.19 143.45 22.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -130.96 -57.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 tp -130.49 154.3 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.98 120.3 33.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -177.77 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 m -81.7 6.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.81 -22.58 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -73.25 -76.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 t -62.09 -17.29 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.37 -49.03 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' HG2' ' HB2' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -82.96 -6.56 59.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -22.31 28.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 59' ' ' LYS . 2.9 pp -91.27 16.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB2' ' HG2' ' A' ' 49' ' ' GLN . . . -70.8 -25.31 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.54 -53.85 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.32 -63.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 55' ' ' THR . 2.0 t -58.73 104.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.145 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.9 p -92.47 -27.0 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -66.72 -34.77 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 mt -92.25 36.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.675 ' HB3' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -67.66 101.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -170.41 62.99 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 78.02 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HA ' HG13 ' A' ' 67' ' ' ILE . 9.1 p -120.41 34.41 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -23.46 36.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -122.5 -166.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 24.7 mmtm -104.93 -8.07 18.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -51.55 -27.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 62' ' ' SER . 9.7 mm -55.71 -46.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -84.51 -1.05 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.36 27.47 65.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -107.75 22.02 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -163.95 158.97 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.533 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.7 161.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -118.74 139.63 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -139.04 175.04 9.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.78 133.99 20.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.55 4.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.499 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.01 131.51 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.1 mp -147.79 140.76 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 59.48 33.07 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.48 19.36 68.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.9 157.31 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.68 130.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.429 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.3 m-20 -108.91 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -93.73 -18.15 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.44 -25.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.42 69.37 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -22.29 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -51.97 -54.28 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -64.21 -32.42 74.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.01 -30.47 25.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -69.75 -44.76 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -71.36 -27.57 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -78.75 -52.41 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.98 -37.98 86.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -54.17 -28.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.2 -44.11 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.7 -34.46 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -76.37 -30.76 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -75.37 -32.15 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.08 -29.52 66.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -34.39 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.4 -39.65 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 100' ' ' ALA . 4.8 mt -82.54 -18.29 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.5 -10.07 65.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.528 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.2 mp -63.43 138.55 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 108.1 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -141.65 127.72 19.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 108' ' ' LEU . 2.9 tpt180 -164.01 142.62 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.803 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -106.72 170.63 7.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.01 69.05 2.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.15 -27.02 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.18 -33.25 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -53.82 -40.7 66.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -79.45 -28.64 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.94 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 t -52.37 -40.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.59 174.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -83.0 96.07 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.8 -26.72 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -15.96 63.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 63.7 52.46 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.78 -24.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -76.48 -24.77 53.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -77.27 -31.31 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 94.54 34.55 6.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 130' ' ' ASP . 8.8 t -93.53 167.42 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -95.13 25.65 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 128' ' ' THR . 6.4 t0 -50.98 -53.94 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.97 -12.52 68.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.65 57.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.491 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 19.1 t60 -53.48 120.94 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.9 m -100.62 134.45 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 10.8 pt-20 -139.24 164.46 29.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.0 mp -76.93 140.22 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.479 HG11 ' HB3' ' A' ' 109' ' ' ARG . 6.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.2 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.328 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -52.07 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -83.25 156.32 23.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -145.64 148.25 32.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 28' ' ' LEU . 7.8 m-85 -54.45 114.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.76 176.64 5.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.22 -37.09 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -78.3 -45.3 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.21 -54.59 45.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -51.21 -35.98 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.1 OUTLIER -75.76 -32.04 59.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -64.25 -49.56 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.88 60.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.424 HG21 ' HE3' ' A' ' 11' ' ' LYS . 1.1 p -101.32 -2.86 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.5 p -67.12 143.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.77 -60.35 1.98 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.708 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.3 Cg_endo -69.75 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -112.87 17.37 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 18' ' ' PRO . 2.9 pp -52.82 -33.88 51.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -58.32 -29.86 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HD3' HD11 ' A' ' 106' ' ' ILE . 24.5 mtpp -52.46 -55.92 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.586 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.3 t -56.34 -40.24 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -57.01 -55.47 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.58 ' HD2' HD21 ' A' ' 104' ' ' LEU . 30.9 ttm-85 -59.79 -42.23 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.33 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -48.49 -38.55 20.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.6 -44.93 9.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.5 -59.61 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.606 ' CB ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -54.57 159.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.879 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.74 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.41 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.552 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -105.25 137.75 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.08 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -161.15 143.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -104.01 141.42 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.404 HG21 HD21 ' A' ' 13' ' ' LEU . 7.5 mm -84.65 138.91 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.36 -45.35 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.3 144.93 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -129.91 -58.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.31 141.38 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.105 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -93.79 129.45 40.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -176.33 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 m -81.94 3.84 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.3 -24.88 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -74.47 -77.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -59.07 -19.74 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.71 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.61 4.64 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -56.12 -21.76 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.41 HG22 ' HB2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -69.82 -10.05 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.76 39.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -95.11 25.54 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.46 10.22 53.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.453 HG21 ' HB2' ' A' ' 58' ' ' LEU . 11.0 t -160.03 131.83 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.17 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.3 t -95.1 -25.95 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -85.9 -39.82 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' HB2' HG21 ' A' ' 55' ' ' THR . 9.3 mp -92.15 36.44 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HB2' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -53.8 145.77 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.07 74.04 80.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -45.88 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.6 p -119.3 49.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -24.3 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -128.69 -169.69 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -7.91 30.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -52.38 -24.54 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.8 mm -54.9 -44.28 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 t -87.93 -1.09 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.35 25.01 64.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -102.47 21.43 15.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -167.74 160.07 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -150.82 163.26 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.16 138.87 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -141.92 174.39 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.77 134.52 18.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.574 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -90.66 134.09 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.615 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.0 mp -149.11 137.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 t30 61.5 33.13 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.66 11.29 62.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -139.83 159.04 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.89 136.83 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.615 ' CB ' HD13 ' A' ' 78' ' ' ILE . 17.9 t0 -109.61 99.73 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -113.17 -15.4 12.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.28 -44.06 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.06 83.71 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -52.33 -59.54 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -63.07 -21.96 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -62.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -55.37 -25.81 37.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -65.12 -47.85 75.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.606 HG23 ' CB ' ' A' ' 31' ' ' SER . 4.7 p -79.77 -28.76 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -59.21 -32.94 70.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -65.99 -27.68 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.72 -32.48 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.53 -47.14 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.54 -31.86 65.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -76.06 -45.4 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.563 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.9 -37.68 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.66 -19.67 71.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -69.16 -55.01 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.77 -40.49 61.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' A' ' 26' ' ' ARG . 11.0 mt -69.54 -20.16 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.58 -0.2 77.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.586 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.7 mp -85.05 128.36 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 146.04 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -169.57 125.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.51 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -153.58 160.73 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -123.42 173.0 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.08 54.01 2.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.96 -24.37 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.46 -26.16 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -57.51 -51.97 67.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -72.59 -24.05 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.95 -23.89 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.046 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.6 t -52.04 -30.19 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 165.43 -77.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.88 136.21 33.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -81.63 95.74 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -87.85 -26.08 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -68.58 -12.55 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.53 58.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.1 mm -66.78 -23.41 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -67.73 -23.21 65.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -73.6 -32.13 63.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 95.53 35.31 5.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.3 t -81.95 160.99 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.355 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.08 23.68 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.33 -43.31 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -107.46 -5.23 34.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.99 -37.46 45.01 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 21.2 t60 -53.88 122.18 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.3 m -100.2 133.84 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.522 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -138.27 167.76 21.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 18' ' ' PRO . 39.5 mt -87.65 108.28 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.799 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -80.9 123.92 28.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.24 153.78 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -142.19 139.36 32.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -53.39 121.32 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.68 -169.12 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -76.39 -44.94 34.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -63.23 -53.24 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.47 -38.81 45.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -36.41 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.69 -50.56 71.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 mm? -75.67 -25.67 56.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -9.43 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.96 -13.2 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.769 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.1 p -56.42 144.49 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.63 -59.86 2.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.769 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.79 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.95 16.45 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.7 pp -52.59 -31.84 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.93 -29.92 67.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HD3' HD11 ' A' ' 106' ' ' ILE . 17.5 mtpt -51.42 -55.71 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.596 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.9 t -57.38 -40.12 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -58.09 -55.64 32.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.639 ' CD ' HD21 ' A' ' 104' ' ' LEU . 11.6 ttt180 -58.45 -44.04 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.99 68.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -47.88 -39.6 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.4 -45.94 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.2 mt -51.17 -59.6 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.2 157.54 4.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -103.51 135.47 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.78 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 7.8 p90 -163.1 138.02 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -99.13 135.81 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mm -73.56 139.49 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -107.74 -44.63 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -153.43 141.53 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -126.04 -58.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 16' ' ' VAL . 2.8 tp -131.73 154.96 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -92.49 142.91 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -171.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.31 1.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.02 -29.07 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.31 -75.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.7 p -54.6 -26.36 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.45 -49.36 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -83.33 3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -55.43 -21.89 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -10.07 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.39 -30.22 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -55.87 -54.76 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.26 50.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' THR . 3.3 t -159.79 116.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -95.11 -41.69 8.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -52.1 -36.64 51.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.18 36.66 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 145.85 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 50.0 59.59 16.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 138.83 38.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.706 ' CB ' HG21 ' A' ' 67' ' ' ILE . 45.3 p -120.42 37.93 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -46.0 24.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 m -55.17 177.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 7.5 mttp -93.42 -38.65 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -53.62 -21.58 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.706 HG21 ' CB ' ' A' ' 62' ' ' SER . 6.9 mm -54.21 -42.01 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 70' ' ' ASP . 4.3 t -98.5 3.65 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.34 21.83 60.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.642 ' OD1' HD12 ' A' ' 136' ' ' LEU . 1.2 t0 -96.24 21.59 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 65' ' ' LYS . . . -169.47 161.72 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.48 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -150.95 161.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.33 143.88 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -142.66 174.8 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.44 21.15 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.72 4.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.457 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.2 130.72 37.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.457 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.9 mp -147.49 140.92 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 59.53 33.13 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.39 19.08 68.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -148.07 160.51 42.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 130.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.42 90.62 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -99.72 -18.0 17.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -103.15 1.47 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.21 77.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -66.26 -21.66 66.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.03 -62.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -22.7 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -74.09 -32.47 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -67.69 -47.07 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.25 -28.23 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.37 -30.38 71.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -70.95 -28.43 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -69.82 -51.4 33.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.42 -32.28 73.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -76.28 -44.26 37.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.542 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.88 -37.05 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.07 -19.54 73.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.36 -54.09 33.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.712 0.291 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.639 HD21 ' CD ' ' A' ' 26' ' ' ARG . 14.5 mt -65.24 -23.28 67.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.35 -5.23 73.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.596 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.1 mp -80.79 124.21 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.466 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.38 134.13 55.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -156.45 126.06 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.554 ' HB3' HG11 ' A' ' 137' ' ' VAL . 7.8 ttt180 -156.64 152.45 27.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.446 ' CE1' HG12 ' A' ' 134' ' ' VAL . 1.1 m-85 -117.68 92.6 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.0 126.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.07 -38.11 10.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -101.09 -26.12 13.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -52.01 -42.13 62.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -79.9 -32.03 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.01 68.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -57.66 -26.96 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.1 -63.58 4.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.12 169.11 10.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.508 ' CD2' HD12 ' A' ' 124' ' ' ILE . 16.3 m-85 -128.73 103.38 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.02 7.41 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -101.1 -10.18 20.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 63.89 57.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 120' ' ' TYR . 0.2 OUTLIER -58.28 -22.02 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -59.89 -21.55 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -60.39 -26.11 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.02 35.5 2.54 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 76.9 p -87.67 -179.56 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -95.73 24.65 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.77 124.09 13.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.97 20.17 74.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -91.11 -44.6 4.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.469 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 48.8 t60 -53.93 125.18 17.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.446 HG12 ' CE1' ' A' ' 110' ' ' PHE . 14.3 m -102.56 133.38 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.5 pt-20 -135.24 174.08 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.642 HD12 ' OD1' ' A' ' 70' ' ' ASP . 12.9 mt -89.18 119.46 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 109' ' ' ARG . 15.7 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -56.79 99.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.817 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.2 152.26 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HA ' HD21 ' A' ' 28' ' ' LEU . 8.5 tptt -138.72 146.59 41.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.79 116.67 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.65 176.34 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -37.55 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -78.12 -45.13 24.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -57.29 -54.81 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.09 -34.97 32.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -33.53 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.59 -48.78 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -74.94 -28.54 60.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.03 -8.38 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.402 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.6 p -106.75 3.77 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.771 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.3 p -72.85 143.72 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -70.5 -60.75 3.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.1 Cg_endo -69.74 -164.7 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -113.03 23.48 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.637 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.2 pp -57.87 -36.46 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -52.28 -29.79 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -52.76 -55.63 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.696 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.6 t -58.54 -39.43 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.41 -54.45 46.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HD2' HD21 ' A' ' 104' ' ' LEU . 1.1 tpm_? -59.2 -41.02 87.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -34.66 75.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 4' ' ' LYS . 6.4 tp -48.86 -40.54 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.68 -47.25 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HG2' ' A' ' 26' ' ' ARG . 77.5 mt -50.78 -52.75 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -53.85 157.06 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.686 0.755 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.99 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.602 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -112.05 127.61 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.14 166.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 13.1 p90 -145.99 140.47 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -100.36 132.06 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.417 HG21 HD21 ' A' ' 13' ' ' LEU . 6.9 mm -76.64 139.17 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.8 t -104.2 -45.15 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.57 152.69 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.561 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -137.99 -58.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.405 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -132.03 144.83 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.41 121.35 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -175.84 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -81.38 4.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.94 -24.02 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.76 -74.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -60.72 -18.39 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.3 -53.16 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.01 -9.69 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -51.74 -32.16 29.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.612 HD12 ' N ' ' A' ' 52' ' ' ALA . 2.9 pp -57.79 -24.05 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -62.88 -16.18 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -50.94 -37.06 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.89 -16.75 1.07 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.434 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 55' ' ' THR . 4.1 t -119.96 117.86 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.317 . . . . 0.0 111.168 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -95.16 -46.23 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -54.2 -32.89 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.13 36.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HD3' HG21 ' A' ' 51' ' ' ILE . 16.9 ttpp -64.37 93.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -177.15 62.98 0.2 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 74.9 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -120.59 31.07 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -56.3 -24.44 43.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -118.08 -167.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -104.46 -5.79 21.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -51.97 -31.42 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.35 -40.94 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.2 p -83.37 -4.41 58.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 61.18 16.6 49.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.41 ' HA ' HD23 ' A' ' 136' ' ' LEU . 1.6 p-10 -100.82 22.11 12.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.533 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -166.11 161.59 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.561 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.29 160.23 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.75 138.27 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -138.02 173.93 11.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.23 21.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HB3' HG11 ' A' ' 93' ' ' VAL . 53.9 Cg_endo -69.77 116.23 4.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.494 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -94.79 118.06 31.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -137.71 142.49 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 62.02 32.92 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.47 15.4 65.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -147.36 165.9 28.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.319 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.77 133.44 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.77 95.7 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -110.41 -15.37 13.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.92 -39.69 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.53 85.15 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.739 ' HB2' HG22 ' A' ' 124' ' ' ILE . 0.5 OUTLIER -66.6 -20.93 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.32 -57.07 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.02 86.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -55.9 -29.54 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -74.31 -24.18 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.602 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.38 -47.37 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.479 HG11 ' HB3' ' A' ' 76' ' ' PRO . 2.9 p -62.57 -27.87 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.81 -40.86 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -56.56 -28.51 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.21 74.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.64 -54.17 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.37 -31.96 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.93 -30.99 58.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.642 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -67.52 -46.73 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.59 45.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -73.49 -55.83 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -38.81 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.561 HD21 ' HD2' ' A' ' 26' ' ' ARG . 5.3 mt -75.86 -29.5 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.09 -17.51 53.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.696 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.6 mp -65.8 133.37 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 143.57 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -169.45 125.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.539 ' N ' HD13 ' A' ' 108' ' ' LEU . 16.6 ttt85 -155.02 158.9 39.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.409 ' CD1' HG12 ' A' ' 134' ' ' VAL . 6.9 m-85 -116.98 172.75 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.0 97.49 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.84 8.98 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.57 -30.3 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -70.98 -37.89 72.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.97 -26.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.55 -25.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -56.93 -45.83 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 152.16 -38.27 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.75 -178.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -77.14 135.29 38.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -56.3 -26.6 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.72 -16.39 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 56.77 60.38 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.739 HG22 ' HB2' ' A' ' 87' ' ' LEU . 1.1 pp -78.45 -30.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -22.35 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -97.15 -32.15 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.18 35.47 83.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 130' ' ' ASP . 8.8 t -107.1 168.87 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -90.35 13.02 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.456 ' H ' HG23 ' A' ' 128' ' ' THR . 23.9 m-20 -53.48 107.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 107.8 -28.84 11.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.75 -39.73 47.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -53.69 120.78 6.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.409 HG12 ' CD1' ' A' ' 110' ' ' PHE . 11.2 m -103.21 137.28 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.533 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 6.9 pt-20 -141.48 168.56 19.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 20' ' ' LEU . 2.2 mm? -83.68 129.65 34.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 109' ' ' ARG . 6.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtt . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 119.18 31.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.595 ' O ' HD21 ' A' ' 28' ' ' LEU . 14.3 t80 -62.68 157.24 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -142.68 145.87 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.74 117.42 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.05 -168.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.512 HD22 ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -78.75 -27.05 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.512 ' N ' HD22 ' A' ' 8' ' ' ASN . 14.0 m -68.75 -56.21 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.43 -35.32 38.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.2 OUTLIER -76.71 -36.31 57.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -58.15 -49.67 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.6 mm? -75.01 -27.46 60.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.14 -10.41 59.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.486 HG21 ' HE3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -103.01 0.91 32.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.778 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -70.99 145.35 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.15 -60.66 2.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.778 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.3 Cg_endo -69.72 -165.2 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.9 16.4 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.558 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.8 pp -51.44 -36.15 42.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.2 pp0? -53.06 -29.76 31.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.605 ' HD3' HD11 ' A' ' 106' ' ' ILE . 21.5 mtpt -53.21 -55.94 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 100' ' ' ALA . 5.6 t -56.34 -40.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.72 -55.41 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.726 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.97 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.595 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -48.18 -38.68 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.8 -45.73 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 26' ' ' ARG . 56.7 mt -51.97 -58.97 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.45 158.34 4.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -106.31 134.47 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.54 177.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 28' ' ' LEU . 9.0 p90 -154.21 142.67 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -101.97 137.4 40.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.402 HG21 HD21 ' A' ' 13' ' ' LEU . 7.9 mm -76.49 139.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.64 -44.77 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.69 141.57 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -122.95 -58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.446 HD13 ' H ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -131.95 141.19 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.108 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' H ' HD13 ' A' ' 41' ' ' ILE . 14.1 mtt180 -96.11 151.58 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -167.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -77.33 2.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.97 -30.63 8.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -79.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.5 p -52.76 -28.2 21.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.99 -50.5 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' O ' HD13 ' A' ' 51' ' ' ILE . 11.8 pt20 -85.88 -0.03 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -60.26 -17.93 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -63.29 -13.57 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.99 -25.38 29.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -73.39 -47.74 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.65 44.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.36 101.93 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -95.36 -45.5 7.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -66.36 -42.68 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.07 36.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -57.18 143.75 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 t0 49.11 59.17 17.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 130.51 19.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.453 ' HA ' HD13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -121.49 -4.13 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -56.97 -35.9 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.415 ' HB3' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -57.41 -176.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -36.45 11.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -51.87 -49.77 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 62' ' ' SER . 2.4 mp -63.6 -22.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.0 p -100.72 5.6 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.87 24.9 43.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -103.78 21.76 15.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -173.73 164.44 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.514 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.62 160.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.88 142.76 46.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -142.39 174.73 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.27 133.71 18.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.65 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.546 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.76 130.31 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.5 mp -147.34 140.48 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 60.3 32.88 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.43 17.96 69.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -148.13 159.54 43.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.4 132.1 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.599 ' CB ' HD13 ' A' ' 78' ' ' ILE . 5.7 t0 -106.2 92.53 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -104.69 -17.35 14.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -92.07 -52.03 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 84.56 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.41 -21.56 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -51.22 -55.85 15.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -56.08 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -72.52 -28.9 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.77 -28.31 50.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.1 t -77.84 -52.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -54.97 -29.83 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -69.58 -27.87 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.07 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.83 -39.66 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -75.24 -34.38 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -76.22 -30.78 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -66.97 -50.57 61.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.09 -19.71 57.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -69.35 -53.08 21.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.29 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.1 -37.89 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.726 HD21 ' HD3' ' A' ' 26' ' ' ARG . 9.8 mt -68.83 -20.59 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.45 -4.18 74.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.605 HD11 ' HD3' ' A' ' 22' ' ' LYS . 1.7 mp -83.22 127.79 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 142.09 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -164.23 125.54 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.54 ' HD2' ' HB2' ' A' ' 112' ' ' ALA . 2.2 mtm180 -153.69 151.7 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.432 ' CE1' HG12 ' A' ' 134' ' ' VAL . 1.4 m-85 -117.49 92.72 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 51.53 88.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.54 ' HB2' ' HD2' ' A' ' 109' ' ' ARG . . . -94.78 -24.79 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -87.97 -32.93 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -70.97 -43.15 68.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -55.68 -27.71 51.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.32 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 p -53.36 -36.03 60.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.89 -59.67 4.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -89.68 142.16 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.405 ' CD2' HD11 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -157.83 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -87.83 7.0 32.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.13 -17.01 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 58.97 59.13 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 124' ' ' ILE . 3.8 mp -57.58 -26.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -67.53 -21.19 65.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -60.46 -22.28 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.7 35.28 2.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 44.2 p -88.31 171.91 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.133 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -95.49 23.62 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -51.86 51.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.24 20.41 50.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.43 -43.38 7.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -54.23 123.88 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 110' ' ' PHE . 18.2 m -104.84 131.48 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.525 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.6 pt-20 -132.88 173.12 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' A' ' 20' ' ' LEU . 4.2 tp -94.02 132.45 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.414 HG11 ' HE ' ' A' ' 109' ' ' ARG . 11.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 ttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -90.39 -74.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.651 ' O ' HD21 ' A' ' 28' ' ' LEU . 10.5 t80 -59.72 151.14 25.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -137.12 148.67 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.63 116.28 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.75 176.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -40.24 65.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -77.16 -45.78 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -51.02 -52.19 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.65 -37.05 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -29.23 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -66.23 -49.62 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.426 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.03 -28.02 60.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.39 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.416 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.8 p -101.12 -1.25 34.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.719 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.5 p -68.44 143.42 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 1.6 mptm? -72.51 -60.12 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.75 -164.73 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.54 20.99 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.2 pp -56.12 -36.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -52.01 -29.88 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -52.62 -55.36 22.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 100' ' ' ALA . 4.8 t -56.18 -39.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.75 -55.34 35.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.756 ' HD2' HD21 ' A' ' 104' ' ' LEU . 5.5 mtt180 -57.88 -39.82 78.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.01 89.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -48.53 -37.37 17.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.91 -48.56 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.4 mt -51.7 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.48 157.71 4.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.694 0.759 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -48.64 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 128.03 54.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -54.71 174.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -149.24 145.54 27.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 t -103.65 133.93 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.426 HG21 HD21 ' A' ' 13' ' ' LEU . 7.7 mm -74.99 139.85 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.29 -44.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -153.96 147.84 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -135.04 -59.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.416 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.34 140.41 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.158 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' NH1' HD11 ' A' ' 67' ' ' ILE . 7.7 mmt85 -93.98 111.9 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.66 -171.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -78.86 1.27 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.68 -29.21 10.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -75.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.67 -25.36 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.94 -51.01 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.39 -9.03 58.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.27 -28.67 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.544 HG21 ' HB3' ' A' ' 59' ' ' LYS . 1.9 pp -98.16 21.02 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.5 -20.63 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -57.64 -58.22 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.44 -71.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' THR . 1.8 t -54.02 101.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.0 p -95.72 -37.28 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -58.57 -38.44 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -92.06 36.46 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.544 ' HB3' HG21 ' A' ' 51' ' ' ILE . 21.8 pttp -81.43 128.5 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.44 63.16 0.13 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.658 0.742 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 64.92 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 p -107.21 28.62 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -24.2 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -122.39 -167.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -99.79 -2.61 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -51.48 -35.43 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.518 HD11 ' NH1' ' A' ' 42' ' ' ARG . 4.7 mm -61.28 -38.49 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -86.75 0.27 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.57 19.17 40.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -101.89 21.51 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -166.2 158.93 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.593 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.21 163.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -122.03 140.89 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.86 174.99 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.31 132.06 20.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 114.84 3.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.56 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -88.91 131.13 35.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.619 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.2 mp -148.21 139.55 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 59.23 33.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 19.29 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -148.32 156.24 42.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.12 135.63 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.619 ' CB ' HD13 ' A' ' 78' ' ' ILE . 41.4 t0 -104.63 97.35 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -113.25 -16.56 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.19 -41.87 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 89.77 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -21.63 66.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -51.75 -59.85 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.41 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.47 -26.73 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -73.82 -38.29 64.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.97 -33.2 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.6 t -70.17 -52.46 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 112' ' ' ALA . 6.7 tttm -63.86 -31.23 72.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -58.77 -28.02 65.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.49 -46.24 70.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -67.91 -36.9 80.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -76.46 -30.89 57.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.612 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -65.57 -56.17 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.91 59.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.36 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.15 -39.97 24.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.756 HD21 ' HD2' ' A' ' 26' ' ' ARG . 12.6 mt -64.29 -20.23 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.23 -2.16 77.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.4 mp -78.29 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 121.33 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.14 118.22 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.587 ' CB ' HG11 ' A' ' 137' ' ' VAL . 0.0 OUTLIER -164.29 137.35 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.401 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.2 OUTLIER -153.27 162.66 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.96 93.93 1.86 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.475 ' HB2' ' NZ ' ' A' ' 94' ' ' LYS . . . -106.96 -36.98 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.544 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 7.1 t70 -115.81 -25.51 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -51.87 -56.73 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -55.54 -29.42 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 113' ' ' ASP . . . -61.3 -24.64 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -53.95 -32.79 54.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.0 -88.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.06 169.56 14.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -160.62 100.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -87.81 7.33 31.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.22 -16.52 60.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 63.43 60.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.04 -23.53 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -33.84 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -63.01 -25.75 68.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.85 34.89 5.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.7 p -83.92 165.1 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -126.83 26.66 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -50.85 -59.91 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -78.97 -12.72 83.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -56.35 -39.85 83.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.453 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 13.6 t60 -53.94 125.45 18.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.401 HG12 ' CE2' ' A' ' 110' ' ' PHE . 13.9 m -106.26 134.54 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.567 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 7.7 pt-20 -139.8 168.84 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 20' ' ' LEU . 4.8 mp -74.64 119.04 18.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.587 HG11 ' CB ' ' A' ' 109' ' ' ARG . 33.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 m -60.87 -75.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -84.75 162.78 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.72 146.4 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.17 134.47 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.49 -171.15 43.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -38.39 91.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.15 -45.58 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -55.21 -53.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -50.61 -35.72 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HE3' HG21 ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.01 -32.63 59.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.33 -49.34 74.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.5 mm? -74.92 -27.72 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.16 -10.74 59.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.559 HG21 ' HE3' ' A' ' 11' ' ' LYS . 3.1 p -103.25 -4.79 23.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.775 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.2 p -63.3 143.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.1 mmtp -70.43 -60.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.5 Cg_endo -69.79 -164.9 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.61 21.98 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.1 pp -57.66 -35.77 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.73 -29.8 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -55.97 -55.93 26.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.604 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.7 t -58.06 -39.06 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.7 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -59.58 -55.22 37.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.532 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.26 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.97 -33.43 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.93 -49.46 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -52.39 -55.2 23.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.52 158.89 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.81 177.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 11.5 p90 -155.72 139.47 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 75' ' ' ALA . 9.8 t -99.52 128.71 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG21 HD21 ' A' ' 13' ' ' LEU . 6.6 mm -71.53 139.62 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.84 -45.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -153.59 155.44 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.578 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -139.12 -58.28 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.0 145.57 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -92.13 137.68 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.97 -170.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -79.55 3.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.09 -30.57 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -75.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.7 p -55.69 -24.05 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.68 -45.2 53.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -89.97 1.19 56.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.75 -24.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -11.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.76 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.42 -49.62 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.58 56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' THR . 1.9 t -160.02 105.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.2 t -93.4 -45.25 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.99 -38.05 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mt -92.17 36.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.62 145.93 8.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 50.82 59.66 15.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 140.97 44.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.707 ' CB ' HG21 ' A' ' 67' ' ' ILE . 42.9 p -120.48 38.09 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -46.98 20.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 67' ' ' ILE . 4.0 m -54.86 177.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 3.3 mptm? -92.8 -38.3 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -53.53 -21.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.707 HG21 ' CB ' ' A' ' 62' ' ' SER . 7.9 mm -54.09 -42.02 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.3 p -93.97 -1.14 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.97 19.42 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' HA ' HD13 ' A' ' 136' ' ' LEU . 2.3 p-10 -96.8 22.05 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 135' ' ' GLU . . . -167.15 161.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.578 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.92 157.31 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.49 144.91 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -145.21 174.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' ' CG2' ' A' ' 36' ' ' THR . . . -134.51 133.49 21.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.51 0.671 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.31 4.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.475 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.85 127.87 39.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.5 mp -146.22 142.36 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.01 65.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -146.68 162.42 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.07 131.78 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.51 85.61 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -93.68 -15.58 25.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -106.98 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.27 77.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 124' ' ' ILE . 2.7 mt -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -56.13 -60.91 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -57.53 -22.93 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.8 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -58.23 -21.07 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -77.97 -44.8 25.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -78.97 -29.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -60.77 -47.41 86.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -52.98 -28.48 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.52 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.37 -53.91 36.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.58 -32.2 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -75.89 -30.37 58.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.585 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -75.08 -30.01 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -32.89 64.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -73.0 -34.9 66.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.42 -40.48 21.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 100' ' ' ALA . 5.7 mt -81.45 -14.2 57.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.76 -0.11 78.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.604 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.9 mp -85.57 132.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 140.75 51.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -169.19 126.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.57 ' N ' HD13 ' A' ' 108' ' ' LEU . 2.5 ttt180 -155.26 170.03 22.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.42 ' CE1' HG12 ' A' ' 134' ' ' VAL . 2.7 m-85 -130.31 101.48 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.26 78.59 0.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.82 -24.58 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.84 -30.23 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -53.67 -48.63 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -77.23 -25.33 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.18 -28.28 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -52.12 -37.05 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -109.99 -76.91 0.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.28 -170.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -77.41 162.87 26.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.15 -45.22 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.1 -28.86 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 58.51 57.72 3.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 124' ' ' ILE . 5.3 mp -72.91 -24.75 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -76.25 -21.54 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -103.16 -32.41 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.14 35.5 92.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.0 t -87.11 168.06 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.192 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -86.3 6.82 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -50.7 107.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 113.15 -35.32 4.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.519 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -52.04 -45.2 56.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.494 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 46.7 t60 -53.57 122.95 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.42 HG12 ' CE1' ' A' ' 110' ' ' PHE . 15.6 m -102.46 134.02 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -136.8 158.34 44.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.0 mp -70.56 142.26 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.469 HG13 ' OE2' ' A' ' 135' ' ' GLU . 4.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -53.59 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.498 ' O ' HD21 ' A' ' 28' ' ' LEU . 13.8 t80 -87.09 164.16 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -150.91 144.67 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.81 131.05 30.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.02 -169.96 28.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.55 94.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.83 -45.31 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.608 ' O ' HD22 ' A' ' 13' ' ' LEU . 14.1 t -55.78 -53.7 53.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.16 -37.26 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -31.56 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.14 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -75.21 -22.29 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.08 -10.77 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.95 -7.87 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.775 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.9 p -63.11 142.37 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 17.3 tptt -70.98 -59.12 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.75 -164.77 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.733 2.288 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.02 17.02 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.661 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -51.57 -36.01 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -29.71 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -51.96 -55.64 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.623 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.9 t -56.49 -39.13 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.01 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -60.51 -55.25 35.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HD2' HD21 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -57.75 -36.11 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -47.67 -34.85 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -91.31 -51.48 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -51.12 -57.51 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.18 154.81 7.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -107.12 130.79 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.49 178.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.519 ' CE2' HD12 ' A' ' 28' ' ' LEU . 12.7 p90 -155.74 138.34 15.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 75' ' ' ALA . 8.4 t -100.17 126.59 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.507 HG13 HD21 ' A' ' 13' ' ' LEU . 4.1 mm -68.14 139.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.0 -44.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.03 146.55 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -127.78 -57.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 16' ' ' VAL . 1.9 tp -131.33 150.72 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -93.95 122.11 36.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -173.66 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.62 5.8 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.99 -24.64 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -74.51 -76.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 p -59.29 -19.8 49.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.2 -51.08 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.86 -5.37 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.03 25.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.769 HG21 ' HB3' ' A' ' 59' ' ' LYS . 2.9 pp -91.07 16.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -52.53 -57.81 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.95 -65.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -55.03 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.125 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -93.01 -34.43 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -55.88 -37.53 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mp -92.31 36.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.769 ' HB3' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -72.86 109.5 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -174.35 61.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 76.76 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 p -120.08 32.57 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -24.1 51.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -120.45 -167.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.2 -5.85 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -51.48 -32.54 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.427 ' N ' HD13 ' A' ' 67' ' ' ILE . 5.0 mm -58.56 -41.1 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -94.79 8.19 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.84 24.1 32.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -102.52 21.78 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.542 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -171.22 159.22 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.464 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.54 159.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -112.77 143.93 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -142.47 175.05 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -134.19 132.78 21.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 115.22 3.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.522 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.74 132.33 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.522 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.1 mp -148.07 140.51 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 59.59 33.11 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.07 66.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -145.48 160.33 41.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.3 127.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.439 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.8 m-20 -108.79 84.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -89.83 -16.23 30.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -100.35 -28.84 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 79.74 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.13 -20.46 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -57.87 -65.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -59.31 -20.04 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.76 -65.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -61.47 -15.89 41.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -78.34 -38.12 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.423 HG23 ' HD2' ' A' ' 33' ' ' TYR . 17.3 t -80.25 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.616 ' HE3' ' HB2' ' A' ' 112' ' ' ALA . 4.2 ttpt -55.76 -29.54 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -54.58 -27.72 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.75 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.22 -41.36 77.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.56 -38.53 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -76.51 -34.69 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 104' ' ' LEU . . . -54.89 -47.4 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.19 -19.21 56.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -74.45 -56.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.08 -38.18 63.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.603 HD12 ' HB1' ' A' ' 100' ' ' ALA . 7.5 mt -77.85 -29.11 50.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.58 57.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.623 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.9 mp -63.8 134.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 135.11 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.0 120.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -161.89 139.26 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.56 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -153.34 161.61 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.08 77.29 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.616 ' HB2' ' HE3' ' A' ' 94' ' ' LYS . . . -107.02 -39.86 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.72 -24.43 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -51.87 -41.79 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -79.48 -26.06 41.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.49 -23.82 53.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.5 m -52.06 -45.37 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -107.15 -88.51 2.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.438 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.42 161.68 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -76.95 95.88 4.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -87.65 -37.21 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -93.05 14.36 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 51.44 43.28 29.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.0 pt -54.59 -27.66 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -61.61 -22.56 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -60.64 -32.28 71.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 94.68 25.74 14.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 70.2 p -84.02 175.26 9.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -96.7 24.5 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.67 -22.96 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -123.79 24.62 6.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -96.16 -39.4 4.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 23.7 t60 -54.3 124.74 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.799 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 110' ' ' PHE . 16.3 m -103.84 132.16 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.542 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 11.3 pt-20 -135.92 169.98 16.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 20' ' ' LEU . 31.2 mt -91.61 139.05 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.835 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -99.39 124.74 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.616 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.0 t80 -51.51 146.11 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -135.55 146.99 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -52.25 115.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.12 -169.96 1.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -36.86 82.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -77.25 -45.1 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -61.51 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -51.69 -41.11 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -28.84 57.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -63.4 -51.16 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 mm? -75.5 -25.14 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.48 -12.89 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.08 -6.76 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.713 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.6 p -63.01 143.05 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.27 -59.9 2.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.2 Cg_endo -69.76 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 17.2 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.545 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.9 pp -51.9 -35.8 46.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' HD12 ' A' ' 20' ' ' LEU . 2.0 pp0? -56.33 -32.51 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -50.86 -45.86 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.611 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.9 t -66.91 -37.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -53.33 58.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.64 -48.57 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HD2' HD21 ' A' ' 104' ' ' LEU . 2.9 mtt180 -62.37 -32.35 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.04 78.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -49.36 -33.21 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.79 -52.8 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.41 -53.47 36.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 91.6 p -54.42 154.77 8.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 53.9 Cg_endo -69.77 -35.49 12.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.619 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -116.89 155.58 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.01 -177.4 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' CE2' HD12 ' A' ' 28' ' ' LEU . 7.4 p90 -164.48 137.27 4.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -99.01 131.12 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.34 138.77 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.8 t -105.63 -44.99 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -153.81 137.36 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.16 -58.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.29 143.12 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -93.86 118.02 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.5 -167.66 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -79.07 3.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.52 -28.04 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -73.98 -75.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -56.57 -23.94 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -56.06 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.07 -8.55 56.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -52.31 -32.13 36.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 52' ' ' ALA . 2.9 pp -60.58 -24.83 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -78.5 -2.86 40.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -51.71 -34.04 37.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.29 -35.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -124.09 133.95 53.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -93.6 -40.34 10.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -59.87 -40.9 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.18 36.26 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -54.19 101.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.62 67.73 73.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -38.03 8.38 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.5 p -91.87 45.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -23.51 39.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -131.34 -168.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 8.94 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.92 -34.58 42.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mm -59.28 -38.44 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.8 p -90.18 2.81 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.39 60.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.77 21.72 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.628 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -172.78 155.45 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.56 161.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -120.99 153.94 36.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -154.25 175.87 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.17 132.15 23.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HB3' HG11 ' A' ' 93' ' ' VAL . 53.4 Cg_endo -69.74 115.38 4.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -92.08 130.29 37.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.503 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.3 mp -147.0 141.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.18 33.35 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.69 19.41 67.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -147.97 159.55 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.8 130.92 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.421 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.2 m-20 -109.17 92.83 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -101.02 -15.49 17.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -113.29 13.73 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -116.8 79.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -66.64 -21.7 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.39 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -63.0 -21.84 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -53.7 -52.5 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -61.02 -30.07 70.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.509 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.4 HG11 ' HB3' ' A' ' 76' ' ' PRO . 4.5 p -78.07 -27.74 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -65.91 -31.93 73.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -71.75 -27.55 63.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.81 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.1 -44.39 84.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.85 -32.48 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -76.07 -30.89 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.611 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -68.25 -53.29 25.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.11 -19.88 57.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -65.72 -56.06 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.69 -38.93 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.718 HD21 ' HD2' ' A' ' 26' ' ' ARG . 12.7 mt -66.71 -17.32 64.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.46 -1.57 76.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.521 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.2 mp -82.73 126.04 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 135.67 57.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -158.21 125.69 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.538 ' N ' HD13 ' A' ' 108' ' ' LEU . 1.4 tmt_? -155.71 143.97 20.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 134' ' ' VAL . 3.4 m-85 -106.49 142.91 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -76.3 83.3 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 9.01 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.51 -30.61 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.36 -40.77 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.93 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.33 61.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.7 t -57.01 -36.65 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 149.91 78.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -157.56 177.59 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -79.95 115.37 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -61.64 -18.2 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 124' ' ' ILE . 4.3 t70 -80.32 -1.17 39.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 39.65 41.42 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.698 HG23 ' HB3' ' A' ' 122' ' ' ASP . 1.2 pp -79.99 -22.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.6 52.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -120.91 -33.0 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.4 60.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.2 t -128.78 -174.88 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.17 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -68.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 p30 39.09 42.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 154.06 -30.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.58 -24.04 22.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.628 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 52.3 t60 -53.03 131.98 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.802 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.429 HG12 ' CE1' ' A' ' 110' ' ' PHE . 6.2 m -104.86 139.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 5.2 pt-20 -145.5 156.61 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.16 132.13 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.834 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 131.96 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.669 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.6 t80 -51.77 157.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -142.88 148.8 37.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.29 117.63 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.47 -173.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.69 87.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -77.3 -45.98 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -56.57 -49.84 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -51.48 -41.22 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -29.06 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.15 -50.96 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -75.32 -26.51 58.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.75 -11.29 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -1.25 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.757 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.1 p -69.4 141.38 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 tttt -70.77 -58.91 4.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.548 0.689 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.757 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.74 -164.96 0.14 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.29 16.96 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.2 pp -51.9 -33.78 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -29.78 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -51.98 -56.18 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.597 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.3 t -56.37 -38.29 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.63 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -60.18 -55.2 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.683 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.09 -38.34 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.23 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -49.39 -36.56 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.89 -50.77 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -51.13 -57.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -54.31 155.68 6.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -102.93 147.65 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.51 -178.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 8.5 p90 -163.82 137.27 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' A' ' 75' ' ' ALA . 9.7 t -101.18 128.63 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.425 HG21 HD21 ' A' ' 13' ' ' LEU . 10.4 mm -63.34 139.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -106.17 -45.54 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -154.32 146.95 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -129.86 -59.77 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.71 150.16 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -93.38 122.74 36.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -178.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.0 m -81.95 5.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.85 -22.16 10.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.47 -75.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -63.68 -14.9 56.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.4 -46.95 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.32 5.57 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -57.78 -21.76 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.4 5.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.64 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -52.1 -46.06 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 45.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' THR . 1.8 t -159.86 102.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.6 t -84.8 -38.2 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -52.25 -39.57 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -92.16 36.41 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -73.55 93.66 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -175.82 62.92 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 73.52 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 p -120.88 31.47 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.95 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 m -118.97 -168.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -103.76 -6.57 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -51.65 -30.97 23.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mm -57.57 -42.67 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.7 p -84.94 -1.99 57.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.61 16.9 46.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.99 21.57 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -164.57 156.11 15.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.5 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.4 pp -150.11 155.84 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -107.87 153.79 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -149.26 174.18 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 36' ' ' THR . . . -133.97 132.47 21.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.313 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.448 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -95.53 127.74 41.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.448 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.6 mp -145.85 142.92 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.7 t30 61.64 32.92 18.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.51 15.69 64.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -146.47 165.36 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.75 132.05 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -91.98 -15.86 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -106.17 10.58 31.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.0 77.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.548 HD13 ' HA2' ' A' ' 127' ' ' GLY . 0.7 OUTLIER -65.99 -22.59 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.95 -61.64 2.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -55.25 -24.9 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -36.52 81.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -66.14 -26.99 67.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 33' ' ' TYR . . . -78.16 -47.29 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.62 -27.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -36.35 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -73.14 -27.92 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.77 -33.25 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CD1' HG11 ' A' ' 134' ' ' VAL . 3.0 m-85 -70.82 -54.25 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.54 -33.62 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -76.17 -43.42 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -56.31 -38.66 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.92 -20.02 72.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -68.97 -54.39 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -75.62 -40.7 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.683 HD21 ' CD ' ' A' ' 26' ' ' ARG . 10.5 mt -69.75 -26.23 64.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.3 64.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.597 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.4 mp -67.6 127.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 113.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.78 123.53 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.602 ' HB3' HG11 ' A' ' 137' ' ' VAL . 6.6 tpp180 -168.3 137.59 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -140.42 92.84 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.25 88.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.13 -44.48 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -115.66 -40.66 3.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.67 -55.94 25.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.69 -27.39 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.41 61.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -52.53 -50.64 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -97.91 -89.12 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.22 -174.25 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -77.18 143.59 38.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -57.8 -28.64 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.495 ' HB3' HD11 ' A' ' 124' ' ' ILE . 65.3 m-20 -90.54 -22.79 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 63.35 49.66 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 122' ' ' ASP . 17.5 mm -76.9 -23.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -69.52 -21.26 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -110.9 -32.72 6.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.548 ' HA2' HD13 ' A' ' 87' ' ' LEU . . . 63.96 14.3 55.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.421 HG23 ' CB ' ' A' ' 130' ' ' ASP . 9.8 t -80.37 168.84 18.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -68.08 -11.47 59.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.421 ' CB ' HG23 ' A' ' 128' ' ' THR . 30.8 t0 -45.83 105.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.74 -14.18 7.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.36 -46.26 16.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -53.64 118.49 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.499 HG12 ' CE2' ' A' ' 110' ' ' PHE . 6.0 m -99.2 140.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.565 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 4.6 pt-20 -145.27 166.65 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mp -82.59 121.06 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 109' ' ' ARG . 19.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 56.84 43.07 25.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -51.62 152.87 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -141.33 141.38 33.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -51.98 121.18 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.64 -168.89 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.02 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -77.78 -45.51 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -60.95 -48.22 82.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.94 -43.89 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.04 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.539 ' NE2' ' H ' ' A' ' 40' ' ' GLY . 7.0 mm100 -61.01 -53.04 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -76.28 -32.67 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.566 ' CG2' HG21 ' A' ' 41' ' ' ILE . 2.3 m -98.78 -22.11 16.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.807 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -46.1 143.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 11.9 tptp -71.75 -58.99 3.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.807 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.79 -165.43 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.254 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.47 15.78 20.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.2 pp -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -29.65 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' HD3' HD11 ' A' ' 106' ' ' ILE . 13.9 mtpt -50.76 -55.77 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.618 HG23 ' HB ' ' A' ' 106' ' ' ILE . 3.0 t -56.93 -40.57 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.68 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -57.37 -55.49 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.742 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.87 -45.8 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.4 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.6 -41.84 43.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.11 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 26' ' ' ARG . 61.7 mt -50.88 -59.78 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.31 157.52 4.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' HD2' HG23 ' A' ' 93' ' ' VAL . 1.3 m-85 -103.08 133.07 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.01 -177.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.72 139.46 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -99.73 140.0 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mm -78.66 136.67 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -45.02 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -154.14 131.97 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.539 ' H ' ' NE2' ' A' ' 12' ' ' GLN . . . -116.42 -58.42 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.566 HG21 ' CG2' ' A' ' 15' ' ' THR . 7.1 tp -133.55 152.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.86 127.1 39.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.18 -171.71 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.7 5.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.96 -24.41 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.46 -75.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 p -59.97 -19.0 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.5 -51.64 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -74.06 -12.67 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.53 -31.46 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 52' ' ' ALA . 2.9 pp -64.22 -24.65 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -51.57 -28.52 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -55.24 -29.44 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.39 35.81 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 p -136.46 101.42 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 111.149 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.34 -34.04 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -88.17 -36.2 16.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.21 36.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 99.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -176.33 63.91 0.22 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.849 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 74.24 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.2 p -120.35 29.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.57 -24.8 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -116.8 -168.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -102.82 -5.12 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -51.73 -33.81 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.8 mm -59.27 -39.1 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -90.65 1.35 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.29 17.08 45.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -97.2 22.31 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -168.64 157.45 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -150.52 163.83 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.86 141.32 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.53 175.0 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.74 134.56 19.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.83 4.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.557 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.56 131.46 35.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.572 HD13 ' CB ' ' A' ' 83' ' ' ASP . 4.1 mp -148.58 140.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' CG ' HG22 ' A' ' 78' ' ' ILE . 33.7 m-20 60.82 32.74 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.71 15.47 66.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 162.01 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.07 135.43 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' HD13 ' A' ' 78' ' ' ILE . 53.9 t0 -107.28 97.9 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -113.47 -16.51 12.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.75 -44.68 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.33 88.51 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD21 ' HA2' ' A' ' 127' ' ' GLY . 1.2 mp -66.63 -21.28 66.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.77 -54.21 20.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB3' ' OD2' ' A' ' 83' ' ' ASP . . . -63.46 -37.78 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.63 -25.8 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -74.14 -40.52 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.55 -47.18 56.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 33' ' ' TYR . 40.7 t -58.97 -52.46 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -37.31 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -27.1 38.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.26 -29.1 60.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.56 -40.19 80.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.41 -35.62 60.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -76.41 -34.16 58.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -63.31 -39.59 94.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.57 -19.83 73.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -73.42 -46.32 49.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.21 -41.26 22.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.742 HD21 ' HD3' ' A' ' 26' ' ' ARG . 6.6 mt -72.18 -23.17 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.82 -11.9 63.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.4 mp -71.58 124.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 111.121 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.25 131.96 51.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -154.99 124.82 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.63 ' HB2' HG21 ' A' ' 137' ' ' VAL . 16.2 ttp180 -154.48 150.63 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.401 ' CD1' HG12 ' A' ' 134' ' ' VAL . 1.4 m-85 -115.1 92.91 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.77 120.67 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.7 -25.6 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -103.2 -25.92 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -53.91 -33.1 55.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -77.06 -28.0 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.28 -25.96 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.1 t -86.83 -52.13 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.51 34.1 1.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -118.39 -171.51 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -77.16 108.49 10.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -57.18 -25.06 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.16 -24.44 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.35 37.87 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.51 -26.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -24.32 67.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -105.74 -32.09 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.508 ' HA2' HD21 ' A' ' 87' ' ' LEU . . . 75.55 35.48 46.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 t -115.08 166.44 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.333 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -95.35 22.77 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.1 -36.0 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.43 -17.86 20.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.8 -33.89 50.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.516 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 25.7 t60 -53.63 127.48 25.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 110' ' ' PHE . 10.1 m -105.57 136.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 5.2 pt-20 -138.15 167.06 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 107' ' ' LYS . 13.0 mt -83.52 119.36 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.63 HG21 ' HB2' ' A' ' 109' ' ' ARG . 9.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -52.75 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -88.36 159.27 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -151.43 148.19 27.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -52.44 140.51 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.55 -171.14 47.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.436 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.4 89.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.22 -45.36 26.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 t -52.88 -54.14 38.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -50.61 -34.53 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.21 -33.01 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.92 -48.34 76.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.6 mm? -75.22 -30.28 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -14.04 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.413 ' HB ' HG21 ' A' ' 41' ' ' ILE . 3.2 p -99.19 -4.09 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.702 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.3 p -65.01 143.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -73.23 -59.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.702 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.75 -165.01 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -111.64 16.45 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.698 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -52.68 -34.37 51.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.91 -29.69 65.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -53.86 -56.47 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 ' CG2' HD12 ' A' ' 104' ' ' LEU . 1.8 t -61.37 -34.74 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.79 64.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -62.4 -50.51 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.47 -32.09 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.29 87.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -47.49 -33.96 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.93 -50.24 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.17 -55.47 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.6 159.41 3.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -108.33 138.14 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -176.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 28' ' ' LEU . 6.6 p90 -160.1 141.15 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -100.64 132.83 45.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.99 139.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -104.48 -45.73 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -154.28 151.72 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -135.32 -59.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.417 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -133.27 143.03 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 111.164 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.79 116.34 28.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -171.69 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 3.4 m -78.84 0.31 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.45 -31.98 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.25 -70.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -59.68 -20.98 59.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' VAL . . . -74.5 -48.57 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -87.19 -4.57 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.97 -44.37 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -96.87 8.41 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.92 -23.73 5.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -48.35 -58.02 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.61 -80.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' THR . 2.0 t -49.54 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.157 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t -95.39 -25.41 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -50.59 -42.41 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 36.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 159.52 12.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t0 48.75 58.11 17.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 126.25 13.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.608 ' CB ' HG21 ' A' ' 67' ' ' ILE . 99.7 p -103.56 38.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -78.66 -51.6 9.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -57.65 179.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -93.79 -36.4 12.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -52.96 -21.14 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.608 HG21 ' CB ' ' A' ' 62' ' ' SER . 8.7 mm -53.7 -44.11 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -99.14 7.98 45.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 60.66 21.51 58.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.25 22.6 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.608 ' HB1' ' CE1' ' A' ' 133' ' ' HIS . . . -169.7 158.43 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.7 pp -150.6 161.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -119.02 150.67 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -155.42 174.72 14.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.79 135.76 22.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -93.2 121.0 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.97 141.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 59.73 34.01 21.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.17 17.34 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -145.88 159.15 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.02 135.42 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -105.3 98.1 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -113.76 -15.3 12.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -96.91 -52.61 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.14 87.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.589 HD22 ' CG2' ' A' ' 124' ' ' ILE . 0.5 OUTLIER -66.89 -21.47 66.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -54.02 -67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -29.26 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -73.63 -41.55 62.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.97 -52.76 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -60.7 -29.86 69.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.51 -28.34 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.74 -30.94 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.46 -50.38 52.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.29 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -76.12 -38.97 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.506 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -54.85 -51.39 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.46 -19.99 28.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -39.62 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.03 -36.98 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.529 HD12 ' CG2' ' A' ' 23' ' ' VAL . 14.3 mt -87.9 -19.84 26.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.82 -15.11 58.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.408 ' HB ' HG23 ' A' ' 23' ' ' VAL . 3.0 mp -61.83 136.12 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 125.76 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -153.92 126.18 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.72 ' HB3' HG11 ' A' ' 137' ' ' VAL . 7.9 ttm180 -158.63 150.96 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.412 ' CE1' HG12 ' A' ' 134' ' ' VAL . 1.7 m-85 -113.08 167.88 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.33 98.86 2.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.26 8.95 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.11 -23.87 65.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -67.5 -34.41 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.64 -24.65 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.2 -24.59 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m -54.59 -46.86 73.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 120.41 21.25 3.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.9 -171.61 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -77.89 96.01 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -59.07 -27.26 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -21.44 66.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 57.86 51.29 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.589 ' CG2' HD22 ' A' ' 87' ' ' LEU . 1.6 pt -56.92 -23.37 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -71.74 -21.3 61.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -109.14 -28.44 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.32 35.39 87.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.441 HG23 ' HB2' ' A' ' 130' ' ' ASP . 8.8 t -90.84 168.74 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 111.162 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -90.08 12.22 18.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.441 ' HB2' HG23 ' A' ' 128' ' ' THR . 36.3 m-20 -51.09 115.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 102.9 -30.52 10.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.461 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.11 86.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.608 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 52.6 t60 -53.78 128.01 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.412 HG12 ' CE1' ' A' ' 110' ' ' PHE . 5.5 m -104.8 137.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.536 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 5.1 pt-20 -144.3 159.91 41.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.698 HD21 ' HB3' ' A' ' 20' ' ' LEU . 4.4 mm? -65.03 137.09 57.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.72 HG11 ' HB3' ' A' ' 109' ' ' ARG . 31.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.807 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -88.06 100.79 13.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.99 163.51 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -149.94 144.23 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -57.25 127.47 32.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 173.87 46.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -50.41 -32.93 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.833 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 4.5 p30 -81.06 -45.97 15.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 m -59.97 -53.38 58.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -49.92 -37.53 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -76.16 -32.51 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -61.78 -49.22 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 mm? -74.25 -29.49 61.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.55 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -107.28 0.7 23.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.797 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.4 p -65.52 149.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.07 -62.13 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.797 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.1 Cg_endo -69.74 -165.25 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -110.5 22.33 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.788 ' HB3' HD11 ' A' ' 136' ' ' LEU . 3.6 pp -60.03 -35.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' HD12 ' A' ' 20' ' ' LEU . 19.8 pt20 -52.14 -29.91 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.81 -54.18 49.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.645 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.4 t -58.7 -40.27 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.79 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.34 -55.48 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.706 ' HD2' HD21 ' A' ' 104' ' ' LEU . 7.8 ttm180 -58.03 -38.86 77.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -44.42 85.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -34.33 13.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.15 -51.91 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.6 mt -51.21 -54.06 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 p -59.42 156.34 31.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.758 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.77 -45.13 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.618 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 3.0 m-85 -108.58 137.75 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.16 176.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 21.8 p90 -149.02 138.29 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -94.67 134.54 37.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.406 HG21 HD21 ' A' ' 13' ' ' LEU . 4.5 mm -85.66 140.52 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -104.44 -45.2 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -154.53 162.9 40.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.07 -58.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.54 151.11 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -92.53 147.23 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.21 -170.14 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -81.03 4.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.23 -27.65 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.84 -76.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -25.45 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.79 -54.69 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.24 -7.18 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -33.39 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.675 HG22 ' HA ' ' A' ' 59' ' ' LYS . 2.9 pp -55.13 -24.67 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -54.32 -26.06 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -52.31 -58.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.06 -63.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -51.57 119.45 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.42 -42.63 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -58.41 -38.73 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.65 36.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.675 ' HA ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.44 150.33 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 t0 49.92 61.55 13.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 137.88 36.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.7 ' CB ' HG21 ' A' ' 67' ' ' ILE . 63.5 p -120.16 43.57 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -51.19 10.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 t -54.55 177.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 25.8 mmtp -92.77 -37.68 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -53.54 -21.51 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.7 HG21 ' CB ' ' A' ' 62' ' ' SER . 9.8 mm -53.09 -39.69 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.98 13.57 20.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.22 29.97 60.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.93 21.5 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.54 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -174.59 171.47 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.625 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.49 156.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.45 135.96 45.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.64 165.22 30.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.23 137.25 16.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 116.1 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.39 140.11 30.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.503 HD12 ' C ' ' A' ' 77' ' ' TYR . 2.1 mp -153.55 134.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.74 33.09 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.64 73.73 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.75 150.7 35.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.09 132.86 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.456 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.6 m-20 -113.13 87.64 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -95.37 -19.99 19.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -98.61 -38.98 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.46 78.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -66.59 -24.15 66.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -51.93 -58.75 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -71.25 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.78 -44.37 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -53.79 -27.18 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.758 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -77.92 -33.82 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' TYR . 41.0 t -79.33 -52.79 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -43.73 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.3 -33.46 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -68.1 -44.04 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.19 -32.61 61.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -76.42 -37.75 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.645 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -62.53 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -20.9 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -73.25 -55.86 5.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.91 -38.26 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.706 HD21 ' HD2' ' A' ' 26' ' ' ARG . 7.1 mt -75.84 -15.31 60.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.61 1.18 76.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 104' ' ' LEU . 1.4 mp -79.74 138.38 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HB2' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.92 137.45 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -169.22 122.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' N ' HD13 ' A' ' 108' ' ' LEU . 6.0 ttp180 -156.31 142.0 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -104.4 93.05 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.96 137.14 7.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 115' ' ' ASN . . . -107.21 8.34 29.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.66 -39.55 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -51.9 -57.88 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.435 HD21 ' HB1' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -73.17 -23.87 60.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.57 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -51.61 -30.61 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -122.48 -31.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -176.37 128.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -115.31 95.94 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -87.73 7.07 31.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -12.08 60.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 63.61 46.96 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.4 pt -56.47 -25.07 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -66.14 -26.05 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -90.11 -29.92 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 77.91 34.52 38.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 t -112.37 160.62 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -97.13 35.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -43.14 -60.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.74 67.83 3.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -46.0 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.6 148.22 25.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 134' ' ' VAL . 21.2 m -145.44 125.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.54 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 10.4 pt-20 -130.23 169.06 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' A' ' 20' ' ' LEU . 6.6 mp -81.54 145.45 30.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.429 HG21 ' HD3' ' A' ' 109' ' ' ARG . 4.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.775 0.321 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -113.79 101.78 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -54.42 150.14 9.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -142.76 148.23 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -55.32 119.6 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.33 -174.11 2.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.28 82.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -77.26 -45.21 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.3 -52.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -50.48 -39.82 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.563 ' NZ ' HG21 ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.69 -35.29 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -56.28 -51.51 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.426 HD12 HG21 ' A' ' 72' ' ' ILE . 2.6 mm? -75.68 -26.62 57.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 -6.21 50.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.563 HG21 ' NZ ' ' A' ' 11' ' ' LYS . 2.0 p -108.03 3.37 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.785 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.4 p -70.28 148.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -72.86 -61.96 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.937 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.76 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -111.65 25.13 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.692 HD11 ' CG2' ' A' ' 72' ' ' ILE . 2.2 pp -61.36 -34.32 75.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -56.34 -29.79 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -54.34 -55.63 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.8 t -57.92 -38.99 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.51 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -60.26 -55.13 37.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -57.53 -38.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.14 -32.89 10.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.54 -49.63 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 100' ' ' ALA . 52.3 mt -50.83 -60.43 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' OG ' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -54.75 160.7 2.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.651 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -103.86 152.49 21.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.67 172.63 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.8 p90 -144.01 140.17 29.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -93.66 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.55 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -104.53 -45.23 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -154.56 154.44 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.82 -58.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.676 HD13 ' HA ' ' A' ' 16' ' ' VAL . 2.0 tp -132.52 155.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -92.22 118.09 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -177.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -80.65 4.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.38 -24.64 10.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -73.67 -79.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 t -56.79 -21.98 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.51 -52.09 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.29 2.34 36.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -54.71 -23.39 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.607 HG22 ' HA ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -65.25 -11.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.61 -23.57 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.02 -40.63 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.79 45.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -159.84 116.84 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.309 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 p -95.22 -30.98 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -62.52 -45.9 90.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.3 36.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.91 151.07 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 49.42 61.25 14.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.54 25.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.372 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.719 ' CB ' HG21 ' A' ' 67' ' ' ILE . 58.2 p -120.36 39.87 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -47.42 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.0 m -54.12 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -92.12 -38.25 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -53.2 -22.57 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.719 HG21 ' CB ' ' A' ' 62' ' ' SER . 6.6 mm -54.88 -40.53 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.1 p -101.51 6.74 42.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.505 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 56.09 27.57 51.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -94.89 22.17 6.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.29 160.09 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.692 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -141.0 162.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.08 138.39 49.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -149.32 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.62 136.88 24.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.733 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.583 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.31 138.99 31.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.641 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.0 mp -152.62 134.9 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 59.05 33.04 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.82 18.77 74.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.06 149.22 31.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.62 135.62 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.641 ' CB ' HD13 ' A' ' 78' ' ' ILE . 35.5 t0 -105.65 92.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -108.19 -18.8 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -96.42 -50.72 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.22 86.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 90' ' ' PHE . 2.2 pt? -65.9 -20.06 66.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.75 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -59.88 -21.24 60.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.446 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 1.1 t80 -51.69 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 91' ' ' TRP . 1.6 p90 -62.51 -14.89 46.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -71.81 -48.99 42.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.447 HG23 ' OG ' ' A' ' 31' ' ' SER . 3.0 p -81.92 -35.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -39.49 85.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -53.38 -27.56 24.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.86 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.72 -46.13 76.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.38 -34.93 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.17 -48.23 52.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.633 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.65 -28.46 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.64 -26.34 74.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -35.09 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.52 -35.6 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 100' ' ' ALA . 4.2 mt -88.76 -11.06 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.97 2.43 71.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.584 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.8 mp -86.91 124.63 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.79 148.98 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.61 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -167.18 129.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.61 ' N ' HD13 ' A' ' 108' ' ' LEU . 12.4 tpp180 -154.31 153.56 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.556 ' CD1' HG12 ' A' ' 134' ' ' VAL . 1.9 m-85 -116.05 92.88 4.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.11 56.6 2.03 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.476 ' HB2' ' HG2' ' A' ' 109' ' ' ARG . . . -89.59 -17.87 27.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -51.53 -39.92 58.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.5 -35.09 73.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -58.46 -25.32 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.2 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.6 t -78.57 -55.23 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 153.09 -70.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.66 -175.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.25 95.77 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -87.69 -42.49 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.59 -22.09 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 63.35 64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.4 mp -64.57 -39.22 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -25.65 48.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 -72.76 -31.07 64.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.61 35.81 2.36 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 124' ' ' ILE . 5.1 t -78.02 123.14 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.46 ' OH ' HG13 ' A' ' 134' ' ' VAL . 1.8 t80 -129.63 35.76 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.97 -71.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.0 -17.85 45.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 51.54 73.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -152.99 135.21 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.556 HG12 ' CD1' ' A' ' 110' ' ' PHE . 28.1 m -120.11 124.86 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -119.04 165.86 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.645 HD11 ' CD2' ' A' ' 20' ' ' LEU . 5.0 mp -87.64 105.23 17.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -102.69 103.82 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.5 ' O ' HD21 ' A' ' 28' ' ' LEU . 23.8 t80 -51.99 155.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -135.88 144.57 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -51.86 111.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.41 -168.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -37.61 86.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -77.45 -41.4 39.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -66.23 -53.11 40.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -51.44 -42.57 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -28.9 58.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.62 -52.38 63.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.7 mm? -75.24 -24.83 57.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.05 -9.52 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.44 -7.19 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.741 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -62.51 142.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -71.19 -59.76 3.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.741 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.73 16.39 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.4 pp -52.87 -31.5 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.17 -29.9 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -52.24 -55.99 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.5 t -56.95 -39.79 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.75 68.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -57.51 -55.46 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.648 ' HD2' HD21 ' A' ' 104' ' ' LEU . 8.6 ttm180 -59.52 -41.81 90.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.07 -41.67 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.7 OUTLIER -47.98 -38.15 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.91 -45.19 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.16 -58.05 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.64 159.47 3.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -105.57 138.19 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.63 171.04 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 9.3 p90 -148.15 145.02 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -105.74 127.24 52.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.24 140.58 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.79 -45.66 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -154.3 147.0 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -132.55 -59.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.51 148.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -92.87 117.4 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -179.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 3.5 m -78.4 0.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.13 -29.43 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -75.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 p -57.52 -23.02 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 44' ' ' VAL . . . -68.35 -56.56 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -4.12 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -55.38 -25.46 35.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.507 ' C ' HD12 ' A' ' 51' ' ' ILE . 1.5 pp -98.56 23.71 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.68 -22.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -46.79 -51.38 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.5 -80.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 55' ' ' THR . 2.8 t -46.99 108.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 111.142 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.453 ' HA ' HD13 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -96.5 -25.62 15.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -75.5 -32.09 60.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.8 37.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 97.57 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 0.6 OUTLIER 177.5 56.35 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.74 91.12 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.564 ' HA ' HG21 ' A' ' 67' ' ' ILE . 62.6 p -92.31 37.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -79.12 -51.58 9.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -59.7 -178.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -94.74 -36.0 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -52.55 -21.52 3.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.564 HG21 ' HA ' ' A' ' 62' ' ' SER . 6.7 mm -53.93 -44.05 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 p -91.13 -2.03 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.65 23.29 66.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.83 21.82 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -167.41 159.93 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.5 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.6 pp -150.67 161.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.9 147.93 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -146.79 175.04 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.05 133.29 23.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.532 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -93.0 131.57 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.532 HD12 ' C ' ' A' ' 77' ' ' TYR . 4.0 mp -148.39 140.44 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.9 t30 59.7 32.92 21.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.04 69.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -148.07 157.57 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.01 130.11 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.428 ' HB2' HD13 ' A' ' 78' ' ' ILE . 1.4 m-20 -108.17 86.36 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -92.88 -17.62 23.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -109.88 11.68 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -118.18 69.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CB ' HG23 ' A' ' 124' ' ' ILE . 2.9 mm? -59.51 -21.81 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.77 -60.89 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -67.4 -24.45 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.78 -34.75 73.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -74.03 -23.59 59.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.537 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -78.17 -46.85 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -72.18 -29.04 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -65.52 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -67.7 -28.36 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.25 68.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.38 -47.1 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.74 -31.76 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.06 -45.3 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -54.88 -38.96 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.86 70.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -70.74 -55.88 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.76 -39.44 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.648 HD21 ' HD2' ' A' ' 26' ' ' ARG . 9.4 mt -73.08 -25.61 60.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.42 68.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.0 mp -71.25 130.22 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 143.9 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.508 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -169.27 125.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.508 ' N ' HD13 ' A' ' 108' ' ' LEU . 23.1 ttt180 -157.15 141.26 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.05 173.15 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -89.31 77.05 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.42 -19.72 15.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 7.5 t70 -52.05 -30.01 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -55.61 -59.08 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -23.91 67.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 113' ' ' ASP . . . -55.8 -25.11 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 t -52.07 -44.44 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 172.37 -71.63 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.52 173.47 12.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.17 95.76 5.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -87.71 7.16 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.89 -25.39 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.8 63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.458 HG23 ' CB ' ' A' ' 87' ' ' LEU . 9.2 mm -71.97 -54.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -24.32 52.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -75.91 -31.56 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.64 35.32 62.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 130' ' ' ASP . 9.0 t -97.19 169.54 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 111.158 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.21 24.8 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.478 ' H ' HG23 ' A' ' 128' ' ' THR . 2.8 m-20 -53.8 111.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.8 -24.26 24.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -51.44 -42.45 50.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.421 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 58.2 t60 -53.73 124.32 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.1 m -100.77 136.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.493 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 6.7 pt-20 -138.71 170.42 16.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 20' ' ' LEU . 40.9 mt -93.42 114.75 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.849 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 p -160.53 121.09 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.493 ' O ' HD21 ' A' ' 28' ' ' LEU . 33.7 t80 -51.93 159.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.0 137.51 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -51.85 114.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.4 -176.86 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -35.78 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -77.56 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 m -61.68 -54.6 40.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -51.21 -35.07 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.11 61.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -58.81 -48.18 82.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.6 mm? -76.48 -35.1 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.98 -12.2 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.7 ' CG2' HG21 ' A' ' 41' ' ' ILE . 1.3 m -101.99 -21.55 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.826 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.0 p -45.03 150.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -73.42 -61.8 1.34 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.921 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.826 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.9 Cg_endo -69.77 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.87 16.33 21.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.571 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.7 pp -51.16 -30.52 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -56.24 -33.73 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -51.17 -55.71 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 100' ' ' ALA . 3.3 t -57.69 -37.75 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -59.99 -53.78 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HD2' HD21 ' A' ' 104' ' ' LEU . 7.5 mtt180 -59.16 -39.16 81.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.94 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -49.2 -37.11 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.08 -50.18 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.2 mt -50.93 -55.14 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.57 159.37 3.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -110.99 133.23 53.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.49 172.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 12.9 p90 -147.91 143.65 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 75' ' ' ALA . 8.6 t -103.83 126.73 51.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mm -67.81 139.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.78 -40.75 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -153.0 136.16 15.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -123.21 -59.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.7 HG21 ' CG2' ' A' ' 15' ' ' THR . 8.7 tp -133.83 153.18 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HD3' ' HB3' ' A' ' 46' ' ' GLN . 14.7 mmp_? -97.41 130.02 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.38 -178.45 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -77.22 -0.04 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.51 -25.81 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 17.4 tp60 -77.47 -69.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 p -63.23 -14.79 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.88 -53.45 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -70.16 -13.44 62.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -32.31 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.554 HD12 ' N ' ' A' ' 52' ' ' ALA . 2.8 pp -64.48 -30.85 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.554 ' N ' HD12 ' A' ' 51' ' ' ILE . . . -72.76 -8.04 53.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -50.99 -54.53 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.55 -36.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -114.41 124.6 52.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -94.45 -36.77 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.88 -33.7 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.22 36.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 94.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.58 63.11 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 63.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.327 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.7 p -121.03 36.37 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.65 -24.46 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.72 -167.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -95.73 3.77 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -51.32 -37.62 48.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.6 mm -60.62 -37.74 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.4 p -91.51 2.45 56.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.99 42.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.02 21.75 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -170.54 160.55 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.444 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -151.14 158.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -117.62 136.26 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -135.8 174.56 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -130.26 131.17 23.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.42 4.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.552 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.01 135.7 33.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.603 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.5 mp -150.46 134.34 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.13 32.74 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.56 8.91 64.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -138.18 155.9 48.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.05 132.45 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.603 ' CB ' HD13 ' A' ' 78' ' ' ILE . 3.7 t0 -106.76 94.42 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -106.61 -15.72 14.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.642 ' O ' HD12 ' A' ' 87' ' ' LEU . 9.3 m120 -96.32 -52.07 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.62 83.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.733 HD11 ' HA2' ' A' ' 127' ' ' GLY . 3.5 mp -66.57 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -50.0 -46.18 52.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . -80.07 -20.4 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.23 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -63.15 -15.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -71.88 -40.69 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.061 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -79.61 -51.52 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -51.1 -29.76 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -54.09 -27.76 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.86 -29.85 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -67.75 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -74.04 -36.62 64.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -76.53 -31.32 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.619 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -64.7 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.55 -20.51 51.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -66.55 -54.75 20.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.13 -37.94 28.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.619 HD21 ' HD2' ' A' ' 26' ' ' ARG . 9.0 mt -69.25 -25.29 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.32 -11.21 63.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.6 mp -65.67 137.11 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 122.66 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.2 117.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.528 ' HB2' HG11 ' A' ' 137' ' ' VAL . 13.6 mtt180 -162.64 139.45 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.445 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -153.36 160.37 42.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.35 99.28 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.32 -24.89 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -109.51 -19.98 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -56.76 -27.92 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.21 56.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -51.91 -46.36 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.84 -72.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.12 153.96 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -78.87 95.9 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.61 -39.8 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.72 -24.26 56.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 63.27 64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.606 ' HA ' HD22 ' A' ' 87' ' ' LEU . 5.0 mp -69.13 -28.82 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -27.52 56.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpp85 -84.16 -31.72 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.733 ' HA2' HD11 ' A' ' 87' ' ' LEU . . . 67.97 34.9 83.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 30.5 p -96.99 -172.27 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.67 25.12 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.82 112.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.08 -21.44 37.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.95 -43.07 71.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.42 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 34.9 t60 -53.72 123.03 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 110' ' ' PHE . 18.5 m -102.1 132.95 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 17.5 pt-20 -138.1 159.73 41.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 20' ' ' LEU . 2.7 mp -68.58 146.29 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 109' ' ' ARG . 27.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -68.35 99.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -50.99 152.46 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -140.37 138.31 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' A' ' 28' ' ' LEU . 9.1 m-85 -51.73 116.95 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.11 174.55 4.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.62 46.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -45.74 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -56.95 -54.4 47.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.0 -35.28 33.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -75.9 -33.88 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.31 -49.3 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.5 mm? -74.98 -28.1 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.52 -10.95 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -102.38 -2.49 28.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.704 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.0 p -64.29 146.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -73.52 -61.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.704 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.3 Cg_endo -69.87 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.68 21.33 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.703 HD11 ' CG2' ' A' ' 72' ' ' ILE . 2.3 pp -58.03 -33.82 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.43 -29.77 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HD3' HD11 ' A' ' 106' ' ' ILE . 29.5 mtpt -52.93 -54.99 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 100' ' ' ALA . 5.2 t -57.76 -42.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.58 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -56.03 -55.38 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.835 ' HD2' HD21 ' A' ' 104' ' ' LEU . 18.1 ttt85 -60.56 -44.98 95.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.48 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' A' ' 5' ' ' PHE . 3.9 tp -49.76 -41.34 43.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -45.79 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -50.48 -58.78 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -54.1 154.43 7.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.75 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.688 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.6 Cg_endo -69.81 -37.54 8.9 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 2.0 m-85 -115.47 126.06 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.93 172.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 14.7 p90 -146.67 143.71 28.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -99.33 137.04 38.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mm -85.92 139.03 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 t -104.01 -45.18 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -154.89 159.12 40.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 -59.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.446 HD11 ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -133.81 141.38 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.35 113.36 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.76 -172.63 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -78.52 0.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.67 -29.23 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -75.04 -72.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -55.14 -24.41 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.83 -50.02 13.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.4 -9.85 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.37 -29.02 57.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 51' ' ' ILE . 1.9 pp -97.75 20.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.1 -18.84 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -58.44 -58.62 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.56 -71.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 55' ' ' THR . 1.8 t -53.72 101.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 t -96.25 -26.32 15.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -64.36 -38.84 92.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.08 36.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -80.46 121.09 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -179.64 60.38 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 73.15 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -120.27 23.7 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -56.7 -23.69 43.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -112.14 -163.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 -6.09 15.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -51.74 -33.54 35.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.7 mm -60.95 -39.48 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -85.1 -0.75 55.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA3' HD11 ' A' ' 41' ' ' ILE . . . 60.35 24.5 61.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -97.81 22.18 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.803 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' A' ' 135' ' ' GLU . . . -170.46 161.91 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.703 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.7 pp -146.23 156.19 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.14 138.46 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -153.5 161.48 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.15 140.28 34.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.36 5.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.559 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.2 139.84 30.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.665 HD13 ' CB ' ' A' ' 83' ' ' ASP . 2.6 mp -153.11 133.07 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.58 33.04 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.44 17.55 74.57 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -147.27 149.35 32.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.444 HG21 ' NE1' ' A' ' 84' ' ' TRP . 2.0 mp -57.66 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.665 ' CB ' HD13 ' A' ' 78' ' ' ILE . 24.7 t0 -110.5 98.04 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.444 ' NE1' HG21 ' A' ' 82' ' ' ILE . 30.2 m95 -110.7 -15.18 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -104.66 -50.32 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 84.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.06 -21.48 65.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -50.67 -58.91 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -71.26 -21.82 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -69.35 -24.42 63.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.688 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -78.51 -47.15 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 t -66.19 -52.31 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -54.44 -33.31 59.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.52 -25.63 60.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.76 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -66.48 -41.9 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -75.79 -33.91 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -75.97 -32.97 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.664 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -66.55 -43.67 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.57 -19.86 65.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.57 -56.11 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.54 -39.34 67.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.835 HD21 ' HD2' ' A' ' 26' ' ' ARG . 7.1 mt -73.19 -19.36 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.57 -0.22 77.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.6 mp -84.23 128.73 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 149.55 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -170.24 125.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.687 ' HD3' ' HB2' ' A' ' 112' ' ' ALA . 11.4 mtt180 -151.58 147.53 26.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.536 ' CD2' HG12 ' A' ' 134' ' ' VAL . 1.2 m-85 -110.64 95.71 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.65 71.47 0.99 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.687 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . . . -101.22 -21.89 14.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.82 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -70.93 -32.21 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -64.45 -25.42 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.06 -32.91 49.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.8 p -57.15 -34.25 68.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.6 90.38 0.64 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -171.16 -178.7 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -77.54 118.47 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -72.11 -9.93 59.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.554 ' HB2' HG23 ' A' ' 124' ' ' ILE . 17.1 m-20 -81.65 -0.36 42.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 39.41 41.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.554 HG23 ' HB2' ' A' ' 122' ' ' ASP . 2.7 pp -61.63 -23.24 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -34.75 35.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -114.37 -32.29 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.46 17.36 68.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 t -129.57 146.55 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.72 -35.63 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t0 64.24 19.48 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 161.12 -70.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.95 82.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.425 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 3.8 t60 -154.3 145.95 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 110' ' ' PHE . 33.7 m -141.06 127.69 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.677 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 1.6 pp20? -123.42 172.18 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 20' ' ' LEU . 1.9 mm? -91.09 123.12 34.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.506 HG21 ' CG ' ' A' ' 109' ' ' ARG . 17.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -113.86 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.463 ' O ' HD21 ' A' ' 28' ' ' LEU . 12.2 t80 -78.83 151.51 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -138.97 144.24 38.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -52.0 117.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 -173.81 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.81 -38.74 82.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -77.43 -45.76 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.8 m -53.39 -54.38 37.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -51.44 -35.49 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.94 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -64.05 -48.69 75.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.64 -29.01 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -10.66 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -102.92 5.96 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.754 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.8 p -76.08 144.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -72.02 -60.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HD2' HG22 ' A' ' 16' ' ' VAL . 54.3 Cg_endo -69.74 -164.61 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.742 2.295 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.45 23.45 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.625 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.7 pp -57.48 -36.47 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -52.8 -29.62 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -53.79 -56.17 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.589 HG23 ' HB ' ' A' ' 106' ' ' ILE . 2.7 t -58.03 -39.45 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -51.89 68.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -59.43 -55.35 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.647 ' HD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mtt-85 -58.31 -39.2 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.87 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.463 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -48.95 -37.2 19.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.16 -51.29 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -50.36 -55.67 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.32 159.52 3.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.707 0.765 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.534 ' HE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -109.22 134.99 51.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.38 171.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -146.53 147.24 30.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -106.12 130.89 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.445 HG21 HD21 ' A' ' 13' ' ' LEU . 6.4 mm -73.54 139.34 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.02 -44.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -154.08 147.72 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.583 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -133.59 -58.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.39 145.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -92.84 126.79 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -176.99 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 m -82.63 5.58 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.82 -22.89 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.83 -75.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -62.4 -16.08 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 -50.14 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -88.61 3.96 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -56.34 -21.55 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -10.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -14.59 61.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -68.22 -34.13 75.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.58 37.95 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 p -144.45 103.46 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.75 -29.51 14.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -88.15 -35.28 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.52 36.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 96.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.55 65.29 0.22 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 68.9 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 p -120.66 30.41 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -56.38 -24.34 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.86 -168.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.71 -5.27 23.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -51.54 -32.54 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 67' ' ' ILE . 5.3 mm -59.35 -40.54 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.5 p -87.33 0.7 55.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.97 20.3 40.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.03 22.34 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.55 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -167.2 160.39 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.583 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -149.93 163.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.53 138.58 53.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -140.38 174.62 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.81 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.4 4.08 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.576 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.21 132.16 36.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.632 HD13 ' CB ' ' A' ' 83' ' ' ASP . 3.9 mp -149.31 138.32 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 m120 59.48 32.67 21.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.67 18.56 72.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -148.38 154.51 40.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.88 133.3 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.632 ' CB ' HD13 ' A' ' 78' ' ' ILE . 29.2 t0 -101.89 90.8 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -106.21 -19.87 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.3 -45.24 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.4 84.87 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.36 -21.31 66.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -50.02 -46.9 53.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.79 71.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.52 -33.97 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -74.28 -26.54 60.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -73.44 -47.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.5 -27.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -63.33 -44.21 95.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.68 -28.08 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.38 -31.75 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.38 -47.06 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.75 -31.48 63.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -75.79 -46.42 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.34 -30.21 50.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.6 -20.01 71.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -80.67 -34.59 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.42 -35.19 27.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 100' ' ' ALA . 1.9 mt -90.14 -19.37 24.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.66 -11.52 63.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.589 ' HB ' HG23 ' A' ' 23' ' ' VAL . 1.8 mp -64.23 138.33 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 125.02 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.87 120.32 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.815 ' HB2' HG21 ' A' ' 137' ' ' VAL . 20.2 ttp180 -165.12 145.18 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.454 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -153.12 145.13 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 51.6 49.75 45.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.7 -36.23 6.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.81 -56.82 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -64.06 -48.7 75.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -52.74 -35.31 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.14 -27.0 42.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.2 p -79.67 -42.41 24.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 140.61 -57.15 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.4 165.38 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -134.07 96.49 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.03 4.84 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.67 -10.97 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.67 59.85 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.1 pt -80.12 -41.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -16.92 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.54 35.44 3.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 32.6 p -119.91 157.4 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -96.33 25.1 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -51.04 -56.2 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -89.86 15.48 59.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.11 -38.93 12.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 9.6 t60 -53.78 122.89 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.454 HG12 ' CE2' ' A' ' 110' ' ' PHE . 18.1 m -104.84 133.77 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.55 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 17.8 pt-20 -138.98 168.11 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -73.56 109.19 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.815 HG21 ' HB2' ' A' ' 109' ' ' ARG . 29.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.12 157.23 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.449 ' O ' HD21 ' A' ' 28' ' ' LEU . 13.5 t80 -52.45 151.54 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -139.49 144.31 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.76 116.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.36 -167.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -77.65 -37.34 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.663 ' O ' HD22 ' A' ' 13' ' ' LEU . 66.2 m -67.57 -54.5 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -51.59 -43.48 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -28.69 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -53.88 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -75.12 -26.76 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -13.59 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.36 6.88 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.785 HG22 ' HD2' ' A' ' 18' ' ' PRO . 4.3 p -76.62 148.97 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -74.83 -61.78 1.01 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.76 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.67 18.12 18.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HB3' HD21 ' A' ' 136' ' ' LEU . 3.6 pp -51.37 -35.77 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.97 -29.66 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.665 ' HD3' HD11 ' A' ' 106' ' ' ILE . 5.1 mtpm? -52.4 -56.09 17.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.645 HG13 ' HB3' ' A' ' 100' ' ' ALA . 2.9 t -56.22 -39.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.38 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -58.4 -55.07 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.656 ' CD ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -59.9 -37.05 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.45 86.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -48.89 -36.58 17.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.83 -49.54 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 mt -50.84 -53.27 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.622 ' CB ' HG23 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -54.54 160.22 2.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.1 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.499 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -115.08 131.9 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.26 169.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 77' ' ' TYR . 19.1 p90 -145.25 145.04 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -102.09 131.04 48.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.71 138.8 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.29 -44.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -153.55 144.88 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -126.61 -57.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 tp -130.35 154.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -93.01 129.52 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.31 178.31 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 6.3 m -81.53 4.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.57 -21.92 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -73.34 -81.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.5 p -59.47 -18.81 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 44' ' ' VAL . . . -80.08 -53.57 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.11 4.36 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -21.82 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -8.3 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.51 45.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -96.21 -48.26 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.16 -25.54 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.435 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -131.77 146.61 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 m -92.73 -26.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -56.68 -36.58 69.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -92.23 36.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -83.28 93.52 7.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.88 62.24 0.17 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -30.65 21.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 67' ' ' ILE . 47.8 p -61.81 -13.36 23.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -22.47 13.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.35 -165.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -109.85 -34.36 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -50.79 -41.66 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.501 HD12 ' H ' ' A' ' 67' ' ' ILE . 4.7 mp -61.33 -38.14 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -82.75 -1.28 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.3 48.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.75 15.32 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -164.45 160.31 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.477 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.8 pp -150.04 157.55 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -110.69 143.48 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -142.71 174.55 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.49 132.92 17.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.736 2.29 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.465 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.77 132.43 36.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.465 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.3 mp -149.4 137.33 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' HG22 ' A' ' 78' ' ' ILE . 33.9 m-20 61.36 32.88 19.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.69 14.23 67.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -143.44 156.78 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.44 133.61 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.24 90.92 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -103.36 -15.48 15.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -101.48 -24.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 85.47 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.61 HD11 ' HA2' ' A' ' 127' ' ' GLY . 5.8 mp -66.68 -21.84 66.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -50.56 -45.78 57.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB1' ' CE2' ' A' ' 33' ' ' TYR . . . -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.62 -65.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -61.32 -17.96 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HB3' ' HE2' ' A' ' 33' ' ' TYR . . . -69.86 -47.15 63.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.622 HG23 ' CB ' ' A' ' 31' ' ' SER . 4.1 p -79.01 -27.99 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.651 ' HD3' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -59.58 -43.23 93.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -28.19 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 -31.75 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD2' HG11 ' A' ' 134' ' ' VAL . 5.0 m-85 -68.78 -54.26 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.21 -34.75 77.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -76.33 -33.47 59.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.645 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -63.29 -41.88 99.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.31 -19.76 68.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -47.81 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.05 -38.38 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.656 HD21 ' CD ' ' A' ' 26' ' ' ARG . 6.0 mt -76.07 -24.88 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.74 -13.06 61.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.665 HD11 ' HD3' ' A' ' 22' ' ' LYS . 2.0 mp -69.11 136.99 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 138.16 55.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.71 122.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -165.04 135.64 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.541 ' CE2' HG12 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -153.31 173.1 16.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.27 79.38 0.65 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.651 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . . . -107.38 -44.95 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 -20.32 10.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -51.93 -35.24 45.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -78.77 -29.14 44.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.57 -20.8 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -52.09 -29.95 23.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -157.41 -85.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -119.95 162.49 19.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -109.43 95.42 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -1.18 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -82.0 -0.79 45.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.57 47.58 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.34 -32.45 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -21.46 63.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.61 ' HA2' HD11 ' A' ' 87' ' ' LEU . . . 96.01 35.53 5.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -89.66 165.62 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -79.64 -2.36 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.72 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.49 -13.31 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -85.93 -41.42 7.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -53.45 119.82 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.541 HG12 ' CE2' ' A' ' 110' ' ' PHE . 7.2 m -102.35 138.35 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.571 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 8.6 pt-20 -142.74 167.74 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 20' ' ' LEU . 21.8 mt -90.01 131.15 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -85.07 -68.58 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.542 ' O ' HD21 ' A' ' 28' ' ' LEU . 11.8 t80 -71.91 160.52 32.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -142.88 149.47 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' A' ' 28' ' ' LEU . 15.3 m-85 -51.02 116.53 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.56 -178.46 0.42 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -58.71 -45.18 90.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -77.35 -31.37 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.482 ' N ' HD22 ' A' ' 8' ' ' ASN . 4.7 m -60.83 -55.29 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -51.57 -32.98 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -75.89 -36.69 59.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -60.43 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.485 HD21 HG21 ' A' ' 37' ' ' ILE . 2.6 mm? -75.52 -28.29 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.16 60.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 41' ' ' ILE . 1.2 p -100.48 -0.91 37.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.781 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.3 p -69.45 142.79 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 2.8 tmtt? -70.59 -59.53 3.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.781 ' HD2' HG22 ' A' ' 16' ' ' VAL . 53.2 Cg_endo -69.81 -164.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -113.13 23.41 13.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.633 ' HB3' HD21 ' A' ' 136' ' ' LEU . 2.1 pp -57.0 -36.01 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -51.99 -29.71 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HD3' HD11 ' A' ' 106' ' ' ILE . 3.8 mtpm? -55.43 -56.08 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.661 HG23 ' HB ' ' A' ' 106' ' ' ILE . 4.3 t -57.58 -39.74 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.41 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -58.47 -55.38 35.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.679 ' HD3' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.82 -42.49 89.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.92 73.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -49.29 -37.68 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -90.67 -43.37 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 26' ' ' ARG . 56.7 mt -54.81 -57.04 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.42 157.51 4.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.754 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.68 ' HG3' ' HB1' ' A' ' 92' ' ' ALA . 53.7 Cg_endo -69.74 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -107.81 123.62 48.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 168.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.706 ' CE2' HD12 ' A' ' 28' ' ' LEU . 15.4 p90 -145.44 140.89 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 75' ' ' ALA . 9.6 t -99.01 125.69 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.485 HG21 HD21 ' A' ' 13' ' ' LEU . 8.4 mm -63.27 139.32 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.9 t -106.52 -44.65 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -153.74 150.54 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 72' ' ' ILE . . . -136.36 -59.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -132.88 144.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.38 151.37 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 -169.1 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.58 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 9.3 p -81.61 9.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.64 -28.91 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.73 -78.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -62.19 -15.9 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 44' ' ' VAL . . . -86.33 -52.98 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 6.34 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -22.82 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -9.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.77 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -52.24 -39.7 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.35 41.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 55' ' ' THR . 1.8 t -159.62 103.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.322 . . . . 0.0 111.129 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.8 p -94.61 -40.28 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -52.28 -43.09 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.14 36.33 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -65.31 96.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -177.24 63.87 0.2 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 64.74 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -111.61 28.87 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -56.53 -24.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -120.41 -167.3 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -101.19 -2.98 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -51.55 -35.42 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.8 mm -60.13 -38.74 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.6 p -95.77 8.43 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.39 24.35 22.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.525 ' HA ' HD23 ' A' ' 136' ' ' LEU . 6.6 m-20 -101.74 22.03 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.551 ' HB2' ' CB ' ' A' ' 135' ' ' GLU . . . -172.59 160.66 4.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.439 HG22 ' HA2' ' A' ' 40' ' ' GLY . 2.4 pp -150.2 157.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.33 149.77 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 93' ' ' VAL . 13.1 p90 -145.53 174.15 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.514 ' HB3' HG23 ' A' ' 36' ' ' THR . . . -133.39 133.35 22.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 111.079 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.56 4.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.564 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -94.79 134.13 37.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.564 HD12 ' C ' ' A' ' 77' ' ' TYR . 3.4 mp -151.06 139.69 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 59.3 33.28 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.15 18.61 69.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -147.51 157.43 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.53 132.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.77 82.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -88.04 -15.74 35.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -108.43 11.44 26.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.09 82.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 122' ' ' ASP . 4.0 pp -66.11 -21.78 66.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.55 ' N ' HD12 ' A' ' 87' ' ' LEU . 36.7 mt-10 -54.19 -64.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 33' ' ' TYR . . . -56.35 -24.83 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.76 -27.39 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -74.24 -51.68 14.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.68 ' HB1' ' HG3' ' A' ' 32' ' ' PRO . . . -57.88 -29.92 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.474 HG11 ' CE1' ' A' ' 74' ' ' PHE . 42.1 t -78.68 -52.53 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 22.6 ttpp -72.55 -26.65 61.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.63 59.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.434 ' CD2' HG11 ' A' ' 134' ' ' VAL . 5.0 m-85 -72.41 -50.81 23.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.89 -42.17 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 4.1 pt20 -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.597 ' O ' HD12 ' A' ' 104' ' ' LEU . . . -54.45 -43.98 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.8 74.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -42.45 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.06 -39.81 25.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.679 HD21 ' HD3' ' A' ' 26' ' ' ARG . 5.0 mt -77.34 -23.84 50.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.11 -11.46 65.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.661 ' HB ' HG23 ' A' ' 23' ' ' VAL . 2.4 mp -71.99 137.27 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 142.9 41.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -169.23 124.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.434 ' N ' HD13 ' A' ' 108' ' ' LEU . 2.3 mtt85 -160.17 136.13 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.455 ' CE1' HG12 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -102.19 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.74 126.18 28.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.92 8.92 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.06 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.13 -59.24 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -71.14 -31.54 67.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -57.29 -23.81 50.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.94 62.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -87.07 2.22 50.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.09 -103.49 0.27 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -179.65 118.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -161.18 99.47 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.14 -7.79 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.768 ' HB3' HD13 ' A' ' 87' ' ' LEU . 46.8 m-20 -75.0 -27.27 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 61.23 54.44 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' A' ' 122' ' ' ASP . 9.7 mm -80.69 -23.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -39.11 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.625 ' HB3' HG22 ' A' ' 128' ' ' THR . 13.8 mmm180 -97.56 -33.63 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.38 35.51 92.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.625 HG22 ' HB3' ' A' ' 126' ' ' ARG . 10.2 t -143.36 176.48 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -62.64 -14.78 47.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.624 ' H ' HG23 ' A' ' 128' ' ' THR . 7.4 t70 -41.71 105.81 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.88 -23.02 5.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.09 -36.89 60.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.457 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 18.6 t60 -53.57 119.47 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.455 HG12 ' CE1' ' A' ' 110' ' ' PHE . 16.8 m -102.34 135.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.551 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -137.49 166.08 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 20' ' ' LEU . 2.1 mm? -87.61 141.4 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 179.831 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_