data_2l7s_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 2l7s _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.85 0.357 . . . . 72.05 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -159.09 141.29 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.02 110.867 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.13 -112.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 64.25 112.451 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.0 p -114.81 21.24 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 65.44 111.15 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 p -160.67 52.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.22 110.894 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 t -121.09 179.38 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 74.11 111.196 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 m -50.86 -31.66 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.03 111.103 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -46.38 67.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.856 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.28 -23.51 59.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.929 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -83.37 -42.45 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.26 -19.05 42.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 75.33 111.095 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -28.37 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.809 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.91 -21.32 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.51 110.9 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.38 -34.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.32 111.145 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -105.5 16.72 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 74.21 110.928 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -97.74 -30.8 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.51 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -91.55 -12.7 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.922 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 -42.92 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.4 111.145 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.861 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.847 0.356 . . . . 71.54 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -150.58 151.75 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.89 -103.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 51.51 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -121.49 -5.82 9.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.325 . . . . 72.54 111.101 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.16 51.75 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 41.53 110.885 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -118.27 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 74.43 111.113 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -50.44 -31.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.13 111.182 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.03 -38.07 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.5 110.919 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -18.72 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.5 110.803 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.72 -45.62 9.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.914 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -19.78 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.54 111.136 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -52.43 -27.66 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -101.34 -20.06 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.929 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.71 -32.81 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 72.53 111.198 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -106.55 17.66 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -98.95 -29.33 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.853 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.84 -15.09 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.852 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -120.94 -43.03 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 73.15 111.122 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.862 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.865 0.364 . . . . 74.04 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -147.15 -179.56 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.961 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 -77.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 54.21 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -116.63 -20.64 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 62.03 111.133 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 p -145.68 137.26 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.02 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.9 t -175.8 178.19 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 74.12 111.202 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -51.66 -30.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 74.21 111.095 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -45.5 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.948 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -23.16 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.836 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -83.0 -40.26 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 75.03 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.2 -18.34 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.23 111.073 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -28.13 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -99.77 -21.58 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 70.4 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.14 -35.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 75.02 111.101 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -104.69 18.46 22.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.908 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -100.2 -29.3 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -93.3 -12.41 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 -34.98 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 74.3 111.087 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 62.1 110.818 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.341 . . . . 74.0 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -132.65 145.43 51.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.819 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.66 -110.75 1.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 74.15 112.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -58.59 -32.44 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 62.53 111.197 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -150.89 146.75 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 65.33 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -176.38 177.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.25 111.194 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.22 -32.01 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 73.14 111.112 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -68.72 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.47 -29.82 26.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 73.33 110.884 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -78.32 -50.86 11.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.92 33.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 74.55 111.106 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -28.3 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 75.45 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 -20.54 15.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.915 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.2 -33.09 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 75.2 111.2 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -106.99 16.14 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.43 110.898 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -96.49 -31.38 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.19 -8.01 52.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.52 -67.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 64.44 111.106 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 70.14 110.888 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.845 0.355 . . . . 72.54 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -159.57 136.1 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.42 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.08 98.17 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 53.43 112.52 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 p 64.88 12.16 7.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 75.03 111.196 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 p 176.69 120.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -177.59 177.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 75.24 111.113 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -51.43 -31.24 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 70.32 111.133 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -69.25 -62.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 45.23 110.906 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -55.46 -27.25 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.5 tp -81.23 -46.74 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.52 110.948 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.81 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.046 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -54.13 -26.6 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.849 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.14 -20.5 15.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 75.24 110.872 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.58 -32.91 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -106.85 19.39 20.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.23 110.926 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -101.41 -30.12 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.34 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -91.41 -17.1 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -118.25 -40.32 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 73.42 111.148 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.939 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.902 0.382 . . . . 74.03 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -133.19 154.04 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 61.05 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.89 -105.79 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 73.55 112.475 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.7 p -91.64 14.46 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 74.23 111.146 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -175.22 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 73.53 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.9 t -176.05 177.43 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 50.33 111.166 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 m -51.27 -29.97 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 74.22 111.132 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.6 -37.73 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 73.03 110.909 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -86.56 -9.65 55.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.86 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.12 -36.78 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.71 -14.17 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.152 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -50.36 -29.32 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.85 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -103.12 -17.78 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.27 -31.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.42 111.167 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -107.65 14.25 25.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.938 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.15 -34.28 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 72.12 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -86.31 -11.35 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.4 -59.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.21 111.11 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 65.22 110.925 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.368 . . . . 75.52 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -160.45 -179.98 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.862 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 -71.49 0.71 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 54.33 112.447 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -113.64 1.4 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 73.22 111.18 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -179.17 153.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.929 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -177.12 177.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.01 111.176 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 m -50.1 -31.64 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 72.32 111.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -62.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.916 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -55.29 -26.03 37.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 74.23 110.873 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.54 -47.63 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.55 38.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 73.2 111.06 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.22 -28.27 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.34 110.84 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -100.18 -20.8 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.881 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.89 -33.72 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -106.34 16.7 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -97.58 -32.37 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.958 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -89.25 -14.66 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -122.59 -44.98 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.4 111.193 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.834 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.916 0.389 . . . . 75.33 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -158.88 162.16 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.51 -112.14 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 63.43 112.496 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -59.1 -53.26 60.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 74.45 111.096 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 p -127.82 142.23 51.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 71.02 110.884 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -175.8 178.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 63.55 111.156 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.19 -31.65 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 71.01 111.117 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -70.2 -63.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 74.34 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -54.62 -27.63 40.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 73.34 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 tp -83.34 -38.94 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.03 -15.34 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 73.01 111.047 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -29.99 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 75.2 110.845 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -100.59 -19.59 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.02 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.89 -32.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.111 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -106.38 16.52 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 75.2 110.873 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -98.67 -31.18 12.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -93.91 -17.92 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.853 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 t -131.03 -42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.52 111.185 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.868 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.876 0.37 . . . . 73.22 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -161.88 148.22 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.87 -115.07 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.493 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.4 p -103.02 -18.29 15.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 73.23 111.117 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -127.42 71.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.897 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -125.89 -178.09 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.22 111.166 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.23 -31.29 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.13 111.167 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -66.53 -59.99 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.864 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -56.77 -24.54 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 73.11 110.844 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.72 -57.52 3.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.941 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.66 -24.3 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.084 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -51.8 -28.06 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.817 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.99 -19.08 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.874 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.05 -31.86 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 73.31 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -107.12 16.53 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.915 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -97.46 -30.85 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 72.42 110.914 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -91.07 -15.35 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -118.53 -44.45 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.31 111.137 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.849 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 74.04 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -155.3 148.35 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.909 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.3 91.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 74.05 112.519 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p 56.68 20.93 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 65.22 111.1 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 t -178.75 106.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 65.42 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -176.07 -179.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 75.25 111.155 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -50.97 -30.64 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.85 -52.33 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 75.31 110.9 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -24.67 64.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.956 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 tp -81.96 -44.41 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.43 110.952 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.52 44.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 71.35 111.06 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.6 -27.11 24.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 75.51 110.833 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -100.87 -20.19 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.942 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.37 -34.14 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.156 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -105.68 16.09 25.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.91 -31.7 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.527 . . . . 63.42 110.906 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -90.41 -14.36 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.91 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -122.81 -46.91 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 71.44 111.188 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.89 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.84 0.352 . . . . 70.21 110.829 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -149.24 177.41 9.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.11 110.875 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.33 -60.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 72.22 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -115.31 -33.92 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 62.51 111.131 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -144.78 143.3 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 72.35 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 t -176.6 178.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.202 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.15 -30.82 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.28 -44.07 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.886 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -78.35 -23.76 46.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.862 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.0 tp -81.71 -44.06 17.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.72 42.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.075 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -53.91 -26.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.11 110.849 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.85 -19.62 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.846 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.02 -32.86 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.077 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -106.34 17.13 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.917 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -98.26 -29.05 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 75.44 110.945 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -93.25 -15.02 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -121.65 -43.03 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 65.31 111.127 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.876 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 74.3 110.827 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -157.73 149.87 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 93.65 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.757 . . . . 61.14 112.453 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 p 51.81 25.78 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 71.04 111.107 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -177.47 90.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 45.24 110.884 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -173.88 179.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 74.2 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -51.22 -30.82 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.119 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.52 -46.37 63.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.848 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -74.69 -21.15 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -86.64 -41.22 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 73.41 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.6 45.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -28.58 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 73.42 110.941 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.1 -21.67 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.937 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.28 -32.19 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 72.44 111.162 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.72 20.52 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.31 111.001 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -103.24 -32.12 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 74.35 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -89.03 -19.0 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.86 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -135.82 -40.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 54.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.3 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.812 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.782 0.325 . . . . 72.43 110.876 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -165.07 107.95 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.885 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.05 93.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.769 . . . . 45.2 112.436 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 64.38 11.77 6.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 74.44 111.181 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 p 177.62 108.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 62.53 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 t -158.07 177.58 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 75.4 111.148 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -50.67 -31.72 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 74.35 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -64.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.951 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -53.53 -28.2 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -82.22 -41.38 20.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 54.31 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.5 -15.72 58.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.108 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -25.97 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.829 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.66 -20.14 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 75.54 110.949 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.28 -33.95 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.199 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -106.12 16.6 24.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 75.02 110.901 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -97.46 -30.65 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -91.38 -13.0 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -121.53 -43.35 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.171 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.857 179.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.815 0.34 . . . . 75.01 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -153.5 168.22 26.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.884 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.99 -86.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 63.42 112.514 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 p -106.87 -24.2 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 74.55 111.231 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -140.53 129.89 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -175.54 177.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 75.04 111.109 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -50.4 -31.23 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.35 111.192 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.926 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -53.57 -27.95 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.879 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.09 -42.62 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.26 -15.92 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.086 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -55.8 -25.56 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.771 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.44 -19.83 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.887 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.79 -33.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.154 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -106.17 17.42 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.954 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -99.19 -30.0 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -95.13 -17.02 22.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.827 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 t -130.38 -42.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.21 111.18 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.6 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.764 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.887 0.375 . . . . 75.33 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 3.0 m-85 -173.29 115.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -106.11 0.59 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 71.44 112.476 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.0 t -104.49 29.15 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 73.11 111.16 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -179.76 66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.414 ' HB ' ' HA ' ' A' ' 18' ' ' PHE . 14.2 t -133.7 -176.41 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.42 111.167 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.22 -30.48 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 63.04 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -68.87 -34.89 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.909 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -88.66 -24.24 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.873 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.59 -39.05 22.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.943 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.17 -16.63 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 74.21 111.158 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -55.41 -25.67 37.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.866 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.81 -19.48 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.42 110.938 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.01 -32.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.085 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -106.7 16.5 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 75.31 110.899 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -97.51 -29.71 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 75.53 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.49 -15.65 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.32 110.886 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -121.33 -42.96 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.175 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 63.24 110.861 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.782 0.325 . . . . 74.0 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -153.16 166.11 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.923 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.1 -63.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 72.35 112.437 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -32.11 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 71.42 111.159 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -150.18 142.16 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.11 110.878 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -176.02 177.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 75.31 111.182 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 m -52.56 -30.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 72.03 111.129 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -71.88 -34.24 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.23 110.9 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -91.36 -8.66 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 75.2 110.96 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.5 tp -100.69 -36.69 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.87 -14.05 50.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.4 111.167 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -50.54 -29.2 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -103.32 -17.12 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.22 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.79 -33.5 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.3 111.143 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -105.55 14.53 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -95.4 -32.02 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.986 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -89.98 -12.89 37.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 73.53 110.879 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.77 -45.21 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 75.34 111.126 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.1 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.52 110.912 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.847 0.356 . . . . 73.54 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -147.51 163.09 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.895 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 -116.04 2.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 55.4 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.4 p -80.14 -26.83 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 64.53 111.154 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -133.52 125.42 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.51 110.837 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -172.38 177.87 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 71.13 111.188 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.23 -31.47 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.32 111.152 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.18 -42.16 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.856 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -79.81 -21.17 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.871 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.83 -38.78 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.52 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.85 -18.09 41.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 75.23 111.149 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -24.01 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.833 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -12.7 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 71.14 110.881 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.38 -29.28 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 65.44 111.065 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -112.65 17.83 18.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -103.85 -25.33 13.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 62.42 110.882 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -102.19 -14.36 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 63.12 110.868 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -137.04 -40.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 72.14 111.108 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.0 t0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 72.22 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.822 0.344 . . . . 75.01 110.805 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -160.67 157.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.18 -100.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 61.21 112.498 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -80.71 -32.79 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 74.41 111.182 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 p -146.19 152.5 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -175.13 179.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.113 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.94 -30.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -69.21 -51.07 41.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.949 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -24.62 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.01 110.96 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 tp -81.22 -44.8 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.875 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.78 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 71.44 111.16 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.43 -26.97 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.26 -20.39 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.75 -32.31 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.32 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -107.47 15.73 24.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.93 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -96.02 -30.93 13.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 75.11 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.58 -8.4 50.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.927 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.9 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 73.41 111.123 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.859 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 71.31 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.926 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.37 -94.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 73.35 112.497 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -31.09 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 72.44 111.198 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.13 152.0 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.04 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -176.11 174.46 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.44 111.189 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -51.45 -29.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 73.13 111.168 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.74 -72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 62.21 110.897 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -18.13 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.929 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -81.9 -40.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.15 -14.7 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.44 111.137 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -57.18 -25.24 58.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.86 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -100.68 -19.68 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.938 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.68 -34.61 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 74.03 111.173 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -105.32 16.42 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.44 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -97.04 -30.68 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.961 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -91.68 -12.85 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 71.42 110.841 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.55 -43.34 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.23 110.887 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.868 0.366 . . . . 74.23 110.842 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -155.63 142.61 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 73.21 110.945 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.9 91.91 2.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 71.44 112.504 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p 59.83 18.32 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 71.2 111.11 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.6 t -179.17 109.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 60.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -171.77 179.54 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.138 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.9 m -55.79 -30.48 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.194 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -69.7 -42.21 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.864 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -79.46 -22.87 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -84.11 -39.21 19.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.15 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.72 -16.08 55.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 71.24 111.101 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.5 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -101.86 -16.81 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.87 -32.29 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.43 111.19 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -107.01 15.39 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.873 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.11 -33.5 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -87.37 -8.55 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.829 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.95 -60.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.34 111.104 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.95 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.893 0.377 . . . . 74.45 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.0 164.2 29.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 71.42 110.856 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.79 -170.23 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.926 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 160.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.86 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ptm -99.34 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.51 110.884 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -169.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 64.41 110.871 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -175.62 133.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.51 110.836 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -179.8 -176.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.883 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -45.29 80.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.98 74.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 71.25 112.398 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.66 -51.06 2.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.778 0.323 . . . . 75.42 110.892 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -103.45 17.32 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 74.11 110.842 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.96 37.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.857 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.0 t80 179.89 149.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 75.43 110.858 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.5 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -170.0 -32.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 71.43 112.474 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.67 133.26 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 60.41 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -34.73 68.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.05 110.914 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -159.09 141.29 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.02 110.867 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.13 -112.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 64.25 112.451 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.0 p -114.81 21.24 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 65.44 111.15 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 p -160.67 52.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.22 110.894 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 t -121.09 179.38 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 74.11 111.196 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 m -50.86 -31.66 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.03 111.103 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -46.38 67.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.856 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.28 -23.51 59.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.929 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -83.37 -42.45 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.26 -19.05 42.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 75.33 111.095 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -28.37 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.809 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.91 -21.32 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.51 110.9 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.38 -34.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.32 111.145 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -105.5 16.72 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 74.21 110.928 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -97.74 -30.8 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.51 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -91.55 -12.7 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.922 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 -42.92 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.4 111.145 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 51.9 50.68 18.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.861 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -39.38 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.15 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.35 167.51 10.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.874 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -152.27 147.83 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.927 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -133.32 41.3 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.882 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.26 51.44 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 p -160.9 145.16 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.112 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.47 159.86 35.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.626 0.727 . . . . 63.24 111.067 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.7 23.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.275 . . . . 74.13 112.319 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -39.24 37.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 72.51 110.854 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -64.04 -42.08 97.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 65.54 110.857 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -68.88 -72.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.46 161.56 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 71.42 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.3 t -141.87 73.12 23.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 73.53 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -22.15 32.54 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.754 2.302 . . . . 71.31 112.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 60.63 49.55 6.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 73.03 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 76.81 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 64.1 112.559 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -117.24 19.04 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.409 -0.329 . . . . 74.51 110.944 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 44.21 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.895 0.379 . . . . 75.21 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.83 -46.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 70.24 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -52.28 -54.48 30.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.929 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t -164.53 155.41 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.889 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.6 150.83 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -169.13 154.84 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -138.02 39.03 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -162.66 -176.86 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.922 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -56.6 -47.27 79.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.916 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.75 39.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 74.12 112.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -55.84 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 73.04 110.92 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -98.95 25.9 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 75.05 110.905 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.6 34.3 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.876 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.0 t80 -179.95 149.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.5 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -169.43 -32.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 72.52 112.506 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.87 135.66 53.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 61.12 110.901 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -47.54 79.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 71.54 110.85 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -150.58 151.75 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.89 -103.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 51.51 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -121.49 -5.82 9.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.325 . . . . 72.54 111.101 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.16 51.75 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 41.53 110.885 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -118.27 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 74.43 111.113 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -50.44 -31.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.13 111.182 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.03 -38.07 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.5 110.919 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -18.72 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.5 110.803 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.72 -45.62 9.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.914 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -19.78 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.54 111.136 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -52.43 -27.66 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -101.34 -20.06 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.929 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.71 -32.81 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 72.53 111.198 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -106.55 17.66 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -98.95 -29.33 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.853 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.84 -15.09 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.852 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -120.94 -43.03 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 73.15 111.122 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t0 56.72 61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.37 -41.75 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 62.15 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -52.11 167.68 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 71.1 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -53.85 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 55.69 49.16 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.2 110.836 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 51.08 46.29 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.859 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.38 143.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.101 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.69 160.24 81.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.607 0.717 . . . . 72.13 111.045 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.14 3.76 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.66 2.24 . . . . 74.13 112.363 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -31.82 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -106.84 57.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 61.33 110.856 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -114.86 67.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -139.73 162.17 26.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 63.3 111.146 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -150.71 73.22 8.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 71.53 110.883 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.28 37.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 70.25 112.364 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 60.39 83.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.55 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.23 102.86 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 74.11 112.473 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -85.76 160.92 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 119.329 -0.367 . . . . 74.51 111.021 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 62.21 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 64.41 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -144.02 -70.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -52.58 159.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 169.77 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 72.44 110.912 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.2 tpp -157.01 121.54 4.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -175.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.89 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.75 129.72 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 70.13 110.895 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -57.22 -177.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.35 110.955 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -67.65 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.935 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.91 75.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 73.34 112.427 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.08 -49.83 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 72.24 110.883 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -101.0 14.07 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.842 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.82 57.81 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.839 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.4 t80 -179.8 149.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 74.12 110.855 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.518 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -171.52 -31.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 71.14 112.546 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.4 p -113.41 121.62 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 72.35 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -147.15 -179.56 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.961 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 -77.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 54.21 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -116.63 -20.64 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 62.03 111.133 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 p -145.68 137.26 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.02 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.9 t -175.8 178.19 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 74.12 111.202 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -51.66 -30.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 74.21 111.095 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -45.5 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.948 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -23.16 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.836 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -83.0 -40.26 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 75.03 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.2 -18.34 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.23 111.073 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -28.13 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -99.77 -21.58 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 70.4 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.14 -35.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 75.02 111.101 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -104.69 18.46 22.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.908 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -100.2 -29.3 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -93.3 -12.41 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 -34.98 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 74.3 111.087 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.98 59.11 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 62.1 110.818 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.21 -36.59 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.45 26.15 14.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 73.53 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.859 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.71 -31.19 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.66 91.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.868 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -95.24 142.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 72.11 111.116 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.16 157.65 73.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 63.42 111.028 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -38.99 7.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 74.23 112.381 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -48.38 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.886 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t 52.15 39.19 26.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 71.23 110.831 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -134.0 91.13 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.926 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 161.64 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.074 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -143.01 68.08 17.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 74.25 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.61 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.696 2.264 . . . . 74.2 112.332 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.96 22.89 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.89 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.02 60.69 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 64.44 112.48 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -119.6 179.44 4.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 119.32 -0.371 . . . . 74.33 110.984 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 55.55 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 75.41 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 -42.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.831 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.36 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 63.31 110.946 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.97 175.56 9.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.824 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.4 mmt -101.27 -69.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 64.31 110.826 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -161.27 154.87 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -57.59 -37.76 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.938 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -149.58 -175.21 4.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.863 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -72.75 -67.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 70.42 110.93 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 41.24 112.514 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.92 -48.95 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 72.11 110.937 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -98.5 7.21 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.845 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -74.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.803 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.2 t80 179.25 144.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 64.24 110.882 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.92 21.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 52.45 112.473 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.47 120.12 8.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 72.24 110.826 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -64.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 74.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -132.65 145.43 51.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.819 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.66 -110.75 1.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 74.15 112.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -58.59 -32.44 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 62.53 111.197 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -150.89 146.75 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 65.33 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -176.38 177.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.25 111.194 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.22 -32.01 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 73.14 111.112 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -68.72 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.47 -29.82 26.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 73.33 110.884 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -78.32 -50.86 11.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.92 33.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 74.55 111.106 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -28.3 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 75.45 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 -20.54 15.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.915 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.2 -33.09 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 75.2 111.2 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -106.99 16.14 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.43 110.898 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -96.49 -31.38 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.19 -8.01 52.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.52 -67.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 64.44 111.106 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 51.6 88.51 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 70.14 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -103.91 146.16 29.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -135.08 -170.03 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.04 110.871 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 171.33 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 71.43 110.893 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -92.46 46.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -115.77 26.1 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 p -142.61 145.04 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 60.43 111.094 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.54 159.9 37.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.724 . . . . 75.03 111.069 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -16.73 38.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.732 2.288 . . . . 74.34 112.394 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -26.86 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.88 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -77.37 -34.58 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.03 110.887 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -75.16 -65.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 74.2 110.944 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.25 161.57 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.53 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.4 p -128.32 68.58 77.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 73.41 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -6.87 19.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 75.11 112.358 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -50.12 -44.95 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.859 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.37 102.84 1.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 54.33 112.463 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -89.46 175.09 7.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 119.365 -0.35 . . . . 74.32 110.989 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 72.31 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.902 0.382 . . . . 75.21 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.83 160.38 34.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 75.25 110.87 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -117.34 -179.6 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -176.26 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 70.05 110.889 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 39.0 mtt -110.56 122.41 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -146.97 -175.15 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 75.11 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -179.77 143.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.902 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -57.57 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.09 -59.56 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.961 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.11 75.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.721 . . . . 73.3 112.506 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -49.87 2.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 74.13 110.871 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -101.7 13.86 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 74.34 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.37 57.1 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.836 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.6 t80 179.37 143.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.35 110.835 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.22 21.97 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.745 . . . . 70.54 112.528 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.36 135.74 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 75.25 110.932 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.54 110.888 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -159.57 136.1 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.42 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.08 98.17 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 53.43 112.52 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 p 64.88 12.16 7.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 75.03 111.196 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 p 176.69 120.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -177.59 177.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 75.24 111.113 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -51.43 -31.24 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 70.32 111.133 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -69.25 -62.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 45.23 110.906 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -55.46 -27.25 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.5 tp -81.23 -46.74 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.52 110.948 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.81 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.046 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -54.13 -26.6 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.849 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.14 -20.5 15.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 75.24 110.872 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.58 -32.91 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -106.85 19.39 20.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.23 110.926 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -101.41 -30.12 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.34 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -91.41 -17.1 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -118.25 -40.32 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 73.42 111.148 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 57.75 59.47 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.939 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -76.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.851 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.68 149.59 46.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.266 -0.425 . . . . 64.42 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -152.58 148.16 27.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.01 110.876 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -136.13 36.94 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 64.13 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -86.58 52.64 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.896 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.37 138.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 73.21 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.67 157.98 50.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 71.4 111.113 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.64 6.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 65.03 112.27 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -55.09 -27.05 42.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 74.11 110.891 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -96.02 178.44 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.874 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -52.08 115.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 75.21 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -101.24 162.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 65.03 111.158 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.6 p -147.67 72.5 11.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.743 . . . . 64.41 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -40.55 5.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.244 . . . . 74.13 112.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 60.37 99.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.25 102.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 75.22 112.496 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.92 143.54 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 119.335 -0.364 . . . . 73.42 110.983 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 55.55 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.893 0.378 . . . . 73.41 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -71.95 151.59 43.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 74.53 110.821 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -164.27 167.35 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 63.31 110.886 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -112.3 170.93 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 40.32 110.924 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -28.49 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.899 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -140.42 157.06 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 75.32 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -64.55 -74.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.878 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -132.75 -175.63 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.3 110.923 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.72 -58.57 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.902 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.27 78.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 73.54 112.464 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.03 -48.89 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 72.53 110.912 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -98.33 8.95 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.01 -50.45 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.796 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.1 t80 179.93 149.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.883 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -167.56 -32.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 63.32 112.456 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -113.5 141.57 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 74.25 110.855 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -67.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.928 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -133.19 154.04 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 61.05 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.89 -105.79 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 73.55 112.475 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.7 p -91.64 14.46 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 74.23 111.146 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -175.22 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 73.53 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.9 t -176.05 177.43 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 50.33 111.166 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 m -51.27 -29.97 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 74.22 111.132 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.6 -37.73 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 73.03 110.909 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -86.56 -9.65 55.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.86 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.12 -36.78 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.71 -14.17 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.152 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -50.36 -29.32 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.85 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -103.12 -17.78 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.27 -31.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.42 111.167 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -107.65 14.25 25.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.938 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.15 -34.28 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 72.12 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -86.31 -11.35 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.4 -59.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.21 111.11 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t0 63.97 27.39 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 65.22 110.925 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.95 179.14 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.946 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -94.02 69.26 3.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.837 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -57.67 168.28 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 74.35 110.816 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.15 24.96 9.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 73.55 110.857 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.04 63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.0 t -118.16 142.22 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.03 111.074 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.39 158.24 64.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 75.3 111.12 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.64 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 74.11 112.293 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.39 -38.72 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.879 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.3 m -81.15 157.02 25.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.839 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.09 126.59 19.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.925 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -102.18 161.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 73.52 111.161 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.9 p -139.68 73.6 34.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 71.31 110.815 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -30.16 23.0 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.755 2.304 . . . . 64.22 112.347 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -74.67 -26.02 59.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.907 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.15 80.38 0.6 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 74.22 112.442 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -76.18 91.01 3.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 119.41 -0.328 . . . . 74.32 110.915 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 55.42 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.841 0.353 . . . . 71.51 110.842 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -93.02 130.67 38.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 75.42 110.789 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -129.85 149.87 51.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 74.12 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -5.48 51.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.35 110.819 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.5 mtt -126.84 114.41 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -131.65 133.74 45.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 62.25 110.885 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.6 100.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.904 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -171.28 175.43 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.832 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -58.7 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 70.12 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.48 84.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 71.14 112.513 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.03 -48.66 2.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.791 0.329 . . . . 74.22 110.908 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -98.91 9.83 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.847 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.77 60.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 74.3 110.908 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 60.6 t80 -147.99 -77.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 73.41 110.93 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 99.97 -80.91 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.655 -0.783 . . . . 71.44 112.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.02 176.19 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 65.43 110.905 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -55.67 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.944 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -160.45 -179.98 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.862 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 -71.49 0.71 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 54.33 112.447 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -113.64 1.4 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 73.22 111.18 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -179.17 153.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.929 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -177.12 177.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.01 111.176 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 m -50.1 -31.64 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 72.32 111.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -62.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.916 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -55.29 -26.03 37.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 74.23 110.873 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.54 -47.63 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.55 38.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 73.2 111.06 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.22 -28.27 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.34 110.84 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -100.18 -20.8 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.881 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.89 -33.72 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -106.34 16.7 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -97.58 -32.37 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.958 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -89.25 -14.66 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -122.59 -44.98 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.4 111.193 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 52.97 89.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -101.55 -31.26 10.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -30.04 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.862 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -94.28 -24.88 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.874 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 58.08 25.12 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.824 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.1 57.21 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.5 110.869 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -113.26 140.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.1 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.46 157.78 76.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 52.1 111.105 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -32.22 19.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 70.32 112.352 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.7 -41.76 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.44 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -63.38 173.75 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 65.54 110.82 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -94.91 139.66 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -85.85 162.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.138 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.8 p -142.66 69.06 20.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 74.31 110.845 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -15.97 37.37 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 61.32 112.361 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -52.1 -30.11 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.87 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.87 100.76 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 73.2 112.488 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.24 130.2 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 119.355 -0.355 . . . . 71.53 110.943 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 75.02 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.868 0.366 . . . . 72.11 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.09 131.8 38.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 73.21 110.895 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -124.94 172.85 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.39 -4.42 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.866 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 ttt -106.21 150.85 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 73.14 110.884 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.37 153.89 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 52.05 110.879 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.83 107.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -178.14 -175.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.914 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -70.45 -57.85 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 74.43 110.844 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.35 78.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.714 -0.755 . . . . 75.14 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.95 -48.7 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 73.33 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -98.45 10.21 41.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.823 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -32.62 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 63.23 110.834 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.5 t80 179.51 144.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.943 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.21 21.48 0.15 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.4 112.512 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 p -127.39 93.23 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 42.42 110.881 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -47.53 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.892 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -158.88 162.16 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.51 -112.14 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 63.43 112.496 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -59.1 -53.26 60.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 74.45 111.096 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 p -127.82 142.23 51.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 71.02 110.884 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -175.8 178.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 63.55 111.156 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.19 -31.65 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 71.01 111.117 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -70.2 -63.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 74.34 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -54.62 -27.63 40.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 73.34 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 tp -83.34 -38.94 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.03 -15.34 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 73.01 111.047 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -29.99 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 75.2 110.845 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -100.59 -19.59 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.02 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.89 -32.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.111 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -106.38 16.52 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 75.2 110.873 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -98.67 -31.18 12.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -93.91 -17.92 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.853 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 t -131.03 -42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.52 111.185 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 61.4 65.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.868 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -58.97 163.79 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.53 110.984 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -178.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.45 110.844 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -127.83 -174.45 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.35 65.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.52 110.837 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 58.02 35.98 25.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.88 145.12 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.134 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.24 159.83 36.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 72.34 111.079 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 -25.93 28.34 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.269 . . . . 73.34 112.373 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -83.04 -29.16 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.3 110.859 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -52.08 159.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.906 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.59 -179.9 3.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -130.46 162.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 75.42 111.154 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -126.86 75.95 75.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.731 0.777 . . . . 74.35 110.825 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.811 2.34 . . . . 74.34 112.265 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.45 5.95 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 73.01 110.862 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.3 -5.88 68.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 72.22 112.507 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.1 178.24 7.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 119.42 -0.324 . . . . 75.3 110.933 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 61.14 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.815 0.341 . . . . 74.14 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 174.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 70.05 110.798 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -178.41 172.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 t -162.49 163.6 27.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 64.11 110.772 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.3 mtt -90.91 -74.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.84 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.98 179.57 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.925 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -155.23 37.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 62.53 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.76 -175.54 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -69.23 -44.52 71.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.951 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.74 78.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 74.42 112.509 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.35 -47.28 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 74.12 110.891 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -93.14 6.22 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.891 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -46.02 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.89 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 38.9 t80 -76.94 -74.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.801 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.483 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 75.23 -65.21 2.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 51.21 112.467 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.53 163.99 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 75.53 110.851 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -36.9 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -161.88 148.22 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.87 -115.07 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.493 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.4 p -103.02 -18.29 15.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 73.23 111.117 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -127.42 71.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.897 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -125.89 -178.09 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.22 111.166 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.23 -31.29 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.13 111.167 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -66.53 -59.99 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.864 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -56.77 -24.54 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 73.11 110.844 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.72 -57.52 3.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.941 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.66 -24.3 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.084 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -51.8 -28.06 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.817 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.99 -19.08 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.874 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.05 -31.86 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 73.31 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -107.12 16.53 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.915 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -97.46 -30.85 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 72.42 110.914 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -91.07 -15.35 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -118.53 -44.45 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.31 111.137 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.8 t70 59.01 97.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.16 -71.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.909 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.97 137.75 26.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.832 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 139.16 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 75.52 110.936 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -58.23 -50.94 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 64.44 110.895 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.57 32.18 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 p -92.04 147.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 64.11 111.123 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.45 160.43 81.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.629 0.728 . . . . 73.41 111.09 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -36.95 9.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 65.41 112.327 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.54 -26.43 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.897 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.91 104.54 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.822 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -117.35 31.68 6.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -112.59 162.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.118 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t -160.14 74.18 2.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 64.34 110.782 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 75.34 112.286 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 65.14 67.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.8 28.58 25.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 52.33 112.497 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -133.46 134.12 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.382 -0.342 . . . . 73.42 110.897 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 65.21 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.898 0.38 . . . . 73.31 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -161.6 148.53 14.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.82 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' NE2' HE21 ' A' ' 32' ' ' GLN . 6.9 mt-30 -162.02 175.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 70.22 110.917 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 t -134.34 178.74 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.31 110.896 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.4 mtt -124.03 149.14 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.11 110.853 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -108.58 -178.92 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.92 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -115.23 -33.01 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.01 110.916 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -143.8 -177.25 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.885 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -57.31 -47.56 81.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.22 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.26 37.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 64.32 112.491 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -66.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 75.22 110.952 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -84.68 -30.55 24.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.867 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.0 t 46.22 35.18 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.32 110.824 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.3 t80 -179.69 149.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.873 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.512 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -172.13 -31.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.718 . . . . 64.21 112.517 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 123.47 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 73.03 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -63.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -155.3 148.35 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.909 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.3 91.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 74.05 112.519 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p 56.68 20.93 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 65.22 111.1 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 t -178.75 106.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 65.42 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -176.07 -179.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 75.25 111.155 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -50.97 -30.64 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.85 -52.33 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 75.31 110.9 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -24.67 64.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.956 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 tp -81.96 -44.41 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.43 110.952 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.52 44.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 71.35 111.06 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.6 -27.11 24.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 75.51 110.833 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -100.87 -20.19 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.942 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.37 -34.14 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.156 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -105.68 16.09 25.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 HE21 ' NE2' ' A' ' 3' ' ' GLN . 7.7 mm100 -96.91 -31.7 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.527 . . . . 63.42 110.906 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -90.41 -14.36 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.91 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -122.81 -46.91 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 71.44 111.188 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t0 57.15 63.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -41.85 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.907 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.14 -177.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.878 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -50.99 150.34 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.42 46.48 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.86 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -86.0 53.32 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.4 t -100.93 142.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.153 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.94 158.26 55.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 64.54 111.138 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -39.92 5.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 74.52 112.339 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -57.56 -25.52 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.916 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.2 m -120.13 29.93 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.827 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.55 133.01 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 72.33 110.891 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.16 161.69 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 61.44 111.113 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 m -148.77 70.46 10.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.689 0.757 . . . . 73.25 110.875 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.01 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 64.31 112.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 58.85 20.36 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 75.25 111.007 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.39 54.6 0.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.693 -0.765 . . . . 74.4 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.32 150.15 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.38 -0.343 . . . . 73.12 110.968 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 71.55 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.906 0.384 . . . . 75.5 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -176.51 86.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 74.44 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -153.02 163.76 39.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.94 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.74 -173.94 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 53.21 110.879 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 46.1 mtt -111.19 -51.9 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.901 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.32 160.92 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.871 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -169.21 138.03 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 61.01 110.915 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.6 179.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.903 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -54.24 -48.27 71.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.4 110.944 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.13 37.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.32 112.491 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -67.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 72.42 110.895 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -84.18 -30.93 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.14 110.895 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t 46.69 34.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.891 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 t80 179.33 144.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 72.52 110.907 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.57 22.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 73.41 112.466 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 134.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 54.14 110.888 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -59.05 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.21 110.829 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -149.24 177.41 9.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.11 110.875 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.33 -60.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 72.22 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -115.31 -33.92 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 62.51 111.131 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -144.78 143.3 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 72.35 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 t -176.6 178.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.202 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.15 -30.82 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.28 -44.07 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.886 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -78.35 -23.76 46.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.862 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.0 tp -81.71 -44.06 17.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.72 42.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.075 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -53.91 -26.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.11 110.849 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.85 -19.62 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.846 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.02 -32.86 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.077 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -106.34 17.13 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.917 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -98.26 -29.05 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 75.44 110.945 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -93.25 -15.02 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -121.65 -43.03 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 65.31 111.127 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 54.57 82.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -92.74 -64.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 70.21 110.959 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.36 178.87 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.881 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.93 141.11 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.906 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -122.65 56.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.89 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -134.26 28.69 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.839 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.29 142.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.24 111.084 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.55 158.09 70.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 71.25 111.055 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -20.39 35.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.679 2.252 . . . . 63.5 112.376 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -77.49 -35.62 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.876 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -80.3 -45.99 16.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 73.02 110.845 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.06 -176.66 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 75.01 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.56 161.97 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 71.55 111.103 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -143.87 73.26 16.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.748 . . . . 71.23 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -16.93 37.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.75 2.3 . . . . 73.51 112.3 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -52.06 -36.29 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 71.35 110.937 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.28 97.74 2.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 61.51 112.512 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -87.66 118.01 26.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.352 -0.356 . . . . 73.31 110.942 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 74.35 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.912 0.387 . . . . 75.02 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -36.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 71.41 110.913 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -59.9 169.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t -103.41 159.78 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.44 110.923 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 mtm -110.42 -62.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.84 163.23 26.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 63.13 110.821 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.83 126.38 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 71.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -179.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.936 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -54.95 -48.25 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.871 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.03 39.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 63.1 112.53 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -56.03 19.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.43 110.913 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -96.85 23.27 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.53 110.821 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.63 71.49 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.885 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 1.9 t80 179.0 144.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.05 110.935 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.62 19.71 0.12 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.694 -0.765 . . . . 75.44 112.452 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 116.58 9.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 62.34 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -57.65 -52.9 63.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.827 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -157.73 149.87 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 93.65 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.757 . . . . 61.14 112.453 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 p 51.81 25.78 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 71.04 111.107 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -177.47 90.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 45.24 110.884 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -173.88 179.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 74.2 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -51.22 -30.82 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.119 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.52 -46.37 63.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.848 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -74.69 -21.15 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -86.64 -41.22 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 73.41 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.6 45.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -28.58 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 73.42 110.941 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.1 -21.67 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.937 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.28 -32.19 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 72.44 111.162 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.72 20.52 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.31 111.001 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -103.24 -32.12 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 74.35 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -89.03 -19.0 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.86 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -135.82 -40.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 54.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.3 t0 64.71 59.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.812 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -29.14 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.837 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.53 -177.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 75.01 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -51.32 156.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.7 61.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.907 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 51.55 37.15 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.886 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.02 144.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 63.43 111.134 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.3 160.47 77.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.546 0.688 . . . . 73.11 111.123 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -20.38 35.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 74.21 112.345 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.57 -35.0 40.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 75.3 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -40.96 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 71.14 110.86 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -130.93 142.44 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.51 110.854 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -89.18 161.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 75.12 111.12 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t -153.05 73.31 7.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 72.13 110.897 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -30.59 21.83 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 70.1 112.345 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 60.21 98.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 97.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 73.53 112.528 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -64.74 162.29 16.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.359 -0.353 . . . . 75.2 110.889 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 24.41 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.351 . . . . 71.53 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -67.19 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 74.35 110.827 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.73 179.93 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.848 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 152.34 36.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.834 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmm -148.16 149.3 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 74.11 110.932 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.79 125.35 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 74.54 110.902 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -115.51 -25.42 7.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 72.24 110.932 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -113.6 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -67.86 -51.05 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.39 74.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 71.03 112.526 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -51.04 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 71.11 110.924 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -96.67 10.96 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.904 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -76.56 66.62 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.0 t80 178.87 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 74.33 110.827 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.57 21.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 71.42 112.519 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.1 p -152.7 109.11 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 71.44 110.837 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.0 -28.95 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.876 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -165.07 107.95 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.885 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.05 93.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.769 . . . . 45.2 112.436 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 64.38 11.77 6.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 74.44 111.181 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 p 177.62 108.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 62.53 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 t -158.07 177.58 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 75.4 111.148 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -50.67 -31.72 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 74.35 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -64.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.951 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -53.53 -28.2 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -82.22 -41.38 20.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 54.31 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.5 -15.72 58.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.108 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -25.97 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.829 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.66 -20.14 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 75.54 110.949 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.28 -33.95 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.199 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -106.12 16.6 24.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 75.02 110.901 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -97.46 -30.65 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -91.38 -13.0 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -121.53 -43.35 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.171 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.7 t0 55.81 69.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.857 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -65.99 -34.97 79.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 74.51 110.843 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -176.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.914 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 135.93 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.919 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -127.04 33.36 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.02 110.803 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.8 53.64 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.954 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.77 140.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 70.11 111.167 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.52 158.24 54.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.533 0.683 . . . . 75.14 111.09 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.44 30.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.601 2.2 . . . . 75.21 112.337 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.94 41.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.45 110.803 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 t -97.52 129.09 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 70.32 110.921 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 90.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 74.43 110.894 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mm -127.02 162.36 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 72.45 111.128 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -148.48 72.26 10.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 72.24 110.802 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.8 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.737 2.291 . . . . 74.31 112.304 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -38.29 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 74.45 110.811 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.07 47.86 3.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 74.22 112.502 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.88 173.4 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 119.387 -0.34 . . . . 72.52 110.975 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.42 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 74.33 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.26 177.63 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.861 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -135.61 -178.38 5.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.901 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -101.64 165.95 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.894 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.9 ptp -127.12 155.69 42.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 74.02 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.14 161.44 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 71.53 110.867 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -121.22 -34.75 3.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -111.66 -174.91 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 70.35 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.65 -71.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.891 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.89 30.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.744 -0.741 . . . . 54.55 112.471 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -67.14 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 75.31 110.87 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -94.08 31.31 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.5 p -76.63 66.78 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 64.34 110.881 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.2 t80 179.24 144.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.31 110.884 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.67 21.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 73.31 112.492 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -146.18 118.39 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 75.02 110.889 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -60.74 3.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 75.01 110.859 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -153.5 168.22 26.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.884 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.99 -86.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 63.42 112.514 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 p -106.87 -24.2 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 74.55 111.231 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -140.53 129.89 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -175.54 177.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 75.04 111.109 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -50.4 -31.23 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.35 111.192 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.926 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -53.57 -27.95 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.879 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.09 -42.62 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.26 -15.92 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.086 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -55.8 -25.56 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.771 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.44 -19.83 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.887 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.79 -33.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.154 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -106.17 17.42 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.954 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -99.19 -30.0 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -95.13 -17.02 22.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.827 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 t -130.38 -42.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.21 111.18 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.6 t0 61.02 74.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.764 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -72.86 172.72 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.99 36.09 17.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.872 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -67.08 155.08 39.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.03 110.92 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -137.32 72.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.792 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 56.37 73.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 71.05 110.877 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -145.82 142.55 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 71.21 111.126 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.02 158.17 69.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 75.02 111.154 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.46 12.47 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.702 2.268 . . . . 74.25 112.267 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -92.04 -46.18 7.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 71.41 110.874 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 p -87.8 144.64 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.896 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -127.27 27.67 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -104.55 161.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.02 111.199 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.3 p -145.04 68.07 13.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 73.41 110.826 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 72.35 112.337 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -77.22 -52.7 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.2 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.57 -0.53 73.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.714 -0.755 . . . . 64.42 112.489 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.98 164.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 119.388 -0.339 . . . . 72.32 110.875 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 34.54 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.939 0.399 . . . . 73.42 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 169.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.903 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -173.18 173.56 3.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 75.02 110.902 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.29 170.17 13.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -108.13 -17.72 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.914 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -160.29 -179.32 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.866 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.99 133.46 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.888 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -58.36 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.92 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -63.37 -67.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.11 110.895 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.25 33.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 73.01 112.453 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -56.36 22.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 73.42 110.926 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 -100.99 19.84 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.865 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -24.84 49.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 9.0 t80 -176.62 148.9 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.883 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.552 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . 176.36 -26.15 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.711 -0.757 . . . . 64.43 112.42 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.1 p -106.84 -31.71 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 71.44 110.867 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 75.39 -4.58 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.928 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 3.0 m-85 -173.29 115.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -106.11 0.59 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 71.44 112.476 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.0 t -104.49 29.15 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 73.11 111.16 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -179.76 66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.414 ' HB ' ' HA ' ' A' ' 18' ' ' PHE . 14.2 t -133.7 -176.41 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.42 111.167 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.22 -30.48 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 63.04 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -68.87 -34.89 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.909 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -88.66 -24.24 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.873 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.59 -39.05 22.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.943 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.17 -16.63 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 74.21 111.158 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -55.41 -25.67 37.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.866 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.81 -19.48 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.42 110.938 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.01 -32.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.085 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -106.7 16.5 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 75.31 110.899 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -97.51 -29.71 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 75.53 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.49 -15.65 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.32 110.886 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -121.33 -42.96 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.175 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 52.08 53.36 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 63.24 110.861 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -57.53 179.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 75.3 110.809 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.06 81.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -66.14 149.86 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.45 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.12 49.12 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.804 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 59.82 36.38 22.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.24 110.825 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 p -70.42 144.03 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.43 111.111 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.38 160.2 65.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.491 0.663 . . . . 74.23 111.195 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -39.29 6.67 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 74.14 112.368 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -56.57 -24.66 48.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -51.84 123.12 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.804 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -85.19 132.74 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.865 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -120.7 162.32 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 71.4 111.129 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.05 69.54 9.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.703 0.763 . . . . 54.44 110.85 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.35 36.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 74.44 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -51.93 -37.03 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 75.3 110.95 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 100.4 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 70.33 112.509 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -100.31 170.67 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.372 -0.347 . . . . 73.03 110.924 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 44.53 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.948 0.404 . . . . 74.43 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.11 28.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.861 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -110.37 167.5 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.89 169.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.45 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.41 137.45 1.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 70.14 110.855 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.3 -171.29 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -148.72 123.2 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.857 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -58.88 -174.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.928 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -64.47 -69.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.64 30.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 63.12 112.539 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 75.33 110.91 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -85.52 -33.38 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.871 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 t 46.58 35.13 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 61.1 110.866 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.5 t80 179.35 144.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 73.22 110.836 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.76 22.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 75.53 112.481 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.76 133.42 13.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 73.32 110.876 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -51.68 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -153.16 166.11 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.923 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.1 -63.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 72.35 112.437 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -32.11 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 71.42 111.159 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -150.18 142.16 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.11 110.878 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -176.02 177.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 75.31 111.182 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 m -52.56 -30.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 72.03 111.129 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -71.88 -34.24 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.23 110.9 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -91.36 -8.66 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 75.2 110.96 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.5 tp -100.69 -36.69 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.87 -14.05 50.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.4 111.167 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -50.54 -29.2 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -103.32 -17.12 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.22 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.79 -33.5 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.3 111.143 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -105.55 14.53 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -95.4 -32.02 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.986 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -89.98 -12.89 37.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 73.53 110.879 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.77 -45.21 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 75.34 111.126 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.1 t0 51.46 71.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.52 110.912 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -84.25 179.95 7.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 74.54 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.48 157.01 5.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.865 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -52.75 146.36 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -140.88 8.95 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.847 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.67 102.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.35 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.85 142.9 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.098 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.05 157.38 74.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 71.42 111.076 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -45.36 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.232 . . . . 70.1 112.289 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.68 -39.07 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 73.13 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -58.9 164.64 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.01 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -123.12 137.04 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 74.35 110.881 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.62 162.08 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 73.21 111.162 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -146.72 71.21 12.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 74.05 110.855 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -41.06 4.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 2.251 . . . . 55.33 112.351 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 61.84 56.48 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.88 80.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 73.43 112.512 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -119.08 137.81 53.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 119.364 -0.35 . . . . 75.01 110.922 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 63.4 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 75.25 110.941 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -82.31 -26.24 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -56.51 -38.69 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.01 110.9 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.63 -3.36 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.805 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.5 ttp -115.03 112.3 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.876 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.75 151.12 30.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 71.1 110.886 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.3 60.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.898 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -172.47 -174.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 74.5 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -76.41 -73.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.03 110.94 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.64 85.47 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 71.22 112.455 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.39 -51.85 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 70.12 110.853 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -115.23 7.23 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.915 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.41 59.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.895 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.2 t80 179.12 144.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 75.24 110.894 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.82 22.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 75.31 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 p -143.82 116.78 8.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 64.22 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -55.81 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -147.51 163.09 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.895 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 -116.04 2.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 55.4 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.4 p -80.14 -26.83 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 64.53 111.154 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -133.52 125.42 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.51 110.837 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -172.38 177.87 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 71.13 111.188 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.23 -31.47 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.32 111.152 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.18 -42.16 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.856 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -79.81 -21.17 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.871 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.83 -38.78 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.52 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.85 -18.09 41.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 75.23 111.149 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -24.01 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.833 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -12.7 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 71.14 110.881 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.38 -29.28 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 65.44 111.065 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -112.65 17.83 18.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -103.85 -25.33 13.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 62.42 110.882 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -102.19 -14.36 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 63.12 110.868 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -137.04 -40.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 72.14 111.108 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.0 t0 58.1 70.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 72.22 110.88 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.12 172.84 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 74.21 110.844 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.33 58.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 61.15 110.843 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -173.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.971 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -51.26 -69.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 75.02 110.88 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.25 39.55 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.932 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.3 t -87.99 143.24 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 74.11 111.144 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.38 157.37 74.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 74.32 111.124 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -22.56 31.48 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.701 2.267 . . . . 74.01 112.311 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.78 -26.33 54.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 p -113.93 117.53 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.861 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -111.35 74.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -141.0 160.65 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.202 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -166.7 72.2 1.1 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 75.14 110.798 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.669 2.246 . . . . 73.32 112.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.4 32.2 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 36.98 3.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 73.55 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -118.87 26.72 9.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.38 -0.343 . . . . 75.3 110.86 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 61.54 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 74.51 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.8 131.01 54.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 75.45 110.85 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.14 161.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.904 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -169.37 177.28 4.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 50.22 110.864 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 ptp -135.62 -171.65 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.42 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -127.06 150.92 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 73.24 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -114.4 -27.72 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -110.0 -175.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.915 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.47 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 73.31 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.0 34.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.716 . . . . 42.11 112.505 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -57.36 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 71.52 110.976 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -100.43 -10.26 21.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 75.3 110.84 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 t -51.75 -30.79 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.855 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 23.6 t80 -111.86 -77.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.882 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.551 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 26.58 58.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 63.34 112.485 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.6 p -155.25 82.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 54.35 110.82 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -44.19 39.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.01 110.805 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -160.67 157.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.18 -100.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 61.21 112.498 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -80.71 -32.79 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 74.41 111.182 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 p -146.19 152.5 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -175.13 179.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.113 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.94 -30.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -69.21 -51.07 41.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.949 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -24.62 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.01 110.96 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 tp -81.22 -44.8 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.875 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.78 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 71.44 111.16 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.43 -26.97 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.26 -20.39 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.75 -32.31 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.32 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -107.47 15.73 24.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.93 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -96.02 -30.93 13.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 75.11 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.58 -8.4 50.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.927 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.9 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 73.41 111.123 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 51.21 57.01 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.859 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -54.58 164.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 153.73 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.55 110.779 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.67 144.45 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.831 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -102.44 30.99 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 73.42 110.856 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -126.3 26.14 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.33 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.54 148.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 64.1 111.143 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.75 160.38 81.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.12 111.135 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -38.36 7.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 75.01 112.323 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -51.39 58.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.875 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -52.87 -44.04 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -77.35 129.6 36.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 73.23 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -124.85 162.1 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 72.21 111.15 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -154.14 73.4 6.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.671 0.748 . . . . 72.42 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.03 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.779 2.319 . . . . 74.1 112.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -61.3 -22.6 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.1 110.955 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.75 97.58 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 73.32 112.479 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -103.25 21.96 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 119.384 -0.341 . . . . 74.02 110.879 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 34.53 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.916 0.388 . . . . 74.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -112.19 -65.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 70.33 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -145.72 -177.9 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.961 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -61.82 -177.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.05 110.885 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.9 ttt -143.9 114.31 7.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 75.13 110.845 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -173.45 163.64 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 51.43 110.865 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.88 131.69 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.35 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -58.05 -175.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 71.04 110.873 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.09 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.34 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.58 76.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.808 -0.711 . . . . 73.52 112.536 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.0 -52.16 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 74.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -98.49 10.6 40.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.875 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.41 66.97 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 42.32 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 2.2 t80 179.19 144.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 62.32 110.898 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 21.5 0.13 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.771 -0.728 . . . . 74.21 112.543 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.68 119.49 6.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 75.23 110.909 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -48.42 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.31 110.895 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.926 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.37 -94.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 73.35 112.497 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -31.09 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 72.44 111.198 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.13 152.0 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.04 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -176.11 174.46 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.44 111.189 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -51.45 -29.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 73.13 111.168 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.74 -72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 62.21 110.897 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -18.13 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.929 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -81.9 -40.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.15 -14.7 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.44 111.137 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -57.18 -25.24 58.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.86 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -100.68 -19.68 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.938 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.68 -34.61 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 74.03 111.173 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -105.32 16.42 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.44 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -97.04 -30.68 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.961 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -91.68 -12.85 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 71.42 110.841 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.55 -43.34 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t0 51.82 60.5 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.23 110.887 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.9 -74.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.39 169.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 73.51 110.853 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -78.03 163.61 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -117.74 49.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 65.02 110.83 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.13 27.59 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.9 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.08 145.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.15 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.01 159.81 36.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 73.32 111.11 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -25.11 29.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 43.44 112.366 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -79.11 -37.01 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.843 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.5 p -59.71 129.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.847 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -151.89 130.38 12.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.918 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.05 162.15 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.21 111.124 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -143.41 68.62 17.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 74.22 110.847 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -6.52 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 63.34 112.272 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.43 -24.3 16.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.881 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.9 91.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 71.41 112.4 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -88.18 49.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 119.379 -0.344 . . . . 74.4 110.901 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 40.44 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.5 t80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.902 0.382 . . . . 75.53 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -149.31 176.21 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 75.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -134.47 169.38 17.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.4 t -78.38 156.5 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.824 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.8 mmt -148.79 159.35 44.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -134.75 150.87 50.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.54 110.945 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.0 102.96 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.991 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -175.28 -175.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.887 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.65 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.863 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.39 84.15 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.645 -0.788 . . . . 44.14 112.412 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.03 -49.4 2.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 73.22 110.884 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -98.06 1.78 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.856 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -58.44 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.866 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 3.8 t80 -179.34 142.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . 177.43 27.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 72.42 112.532 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.24 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 71.1 110.916 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.37 -61.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.842 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -155.63 142.61 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 73.21 110.945 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.9 91.91 2.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 71.44 112.504 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p 59.83 18.32 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 71.2 111.11 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.6 t -179.17 109.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 60.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -171.77 179.54 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.138 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.9 m -55.79 -30.48 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.194 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -69.7 -42.21 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.864 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -79.46 -22.87 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -84.11 -39.21 19.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.15 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.72 -16.08 55.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 71.24 111.101 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.5 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -101.86 -16.81 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.87 -32.29 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.43 111.19 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -107.01 15.39 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.873 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.11 -33.5 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -87.37 -8.55 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.829 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.95 -60.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.34 111.104 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 50.52 56.05 8.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.95 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.07 164.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.41 128.33 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.1 110.894 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 147.86 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.925 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.97 -24.22 51.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 54.23 110.877 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -131.41 73.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.854 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.4 p -122.38 144.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.144 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.22 160.42 62.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.534 0.683 . . . . 75.21 111.129 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -30.01 22.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.26 . . . . 73.32 112.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -45.24 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 63.31 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -52.13 150.94 4.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 63.11 110.86 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -51.91 125.05 14.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 71.33 110.894 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.21 161.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.23 111.126 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.9 p -140.12 68.4 34.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 62.45 110.833 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -42.33 3.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 73.33 112.377 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.29 25.09 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.56 45.49 1.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 64.21 112.421 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.22 26.76 10.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 119.381 -0.342 . . . . 73.11 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 63.43 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.85 0.357 . . . . 72.049999999999997 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -159.09 141.29 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 110.867 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.13 -112.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 51.219999999999999 112.451 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.0 p -114.81 21.24 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 61.43 111.15 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 p -160.67 52.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.219999999999999 110.894 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.759 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.5 t -121.09 179.38 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 63.109999999999999 111.196 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 m -50.86 -31.66 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.030000000000001 111.103 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.759 ' H ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -69.23 -46.38 67.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 73.219999999999999 110.856 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.28 -23.51 59.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.120000000000005 110.929 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -83.37 -42.45 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 72.209999999999994 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.26 -19.05 42.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 111.095 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -28.37 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.809 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.91 -21.32 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.9 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.38 -34.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.340000000000003 111.145 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -105.5 16.72 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 74.209999999999994 110.928 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -97.74 -30.8 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.510000000000005 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -91.55 -12.7 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.922 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 -42.92 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 111.145 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.861 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.847 0.356 . . . . 70.120000000000005 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -150.58 151.75 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 70.010000000000005 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.89 -103.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 45.030000000000001 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -121.49 -5.82 9.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.325 . . . . 71.519999999999996 111.101 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.16 51.75 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 30.129999999999999 110.885 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 24' ' ' GLN . 10.6 t -118.27 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.039999999999999 111.113 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -50.44 -31.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.130000000000003 111.182 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.734 ' H ' HG23 ' A' ' 22' ' ' THR . 7.3 mt-30 -70.03 -38.07 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.5 110.919 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -83.86 -18.72 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.219999999999999 110.803 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.72 -45.62 9.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.914 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -19.78 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.540000000000006 111.136 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -52.43 -27.66 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -101.34 -20.06 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 110.929 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.71 -32.81 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 63.340000000000003 111.198 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -106.55 17.66 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.409999999999997 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -98.95 -29.33 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 71.120000000000005 110.853 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.84 -15.09 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.852 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -120.94 -43.03 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 61.140000000000001 111.122 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.230000000000004 110.862 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.865 0.364 . . . . 64.099999999999994 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.618 ' CE2' HG21 ' A' ' 22' ' ' THR . 12.3 m-85 -147.15 -179.56 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.340000000000003 110.961 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 -77.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 53.020000000000003 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -116.63 -20.64 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 62.030000000000001 111.133 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 p -145.68 137.26 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.019999999999996 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.785 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.9 t -175.8 178.19 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 74.120000000000005 111.202 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -51.66 -30.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 111.095 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.744 ' H ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -68.81 -45.5 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 73.420000000000002 110.948 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.785 ' HD3' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -76.75 -23.16 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.836 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -83.0 -40.26 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 75.030000000000001 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.2 -18.34 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.230000000000004 111.073 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -28.13 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -99.77 -21.58 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 70.400000000000006 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.14 -35.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 54.409999999999997 111.101 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -104.69 18.46 22.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.908 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -100.2 -29.3 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -93.3 -12.41 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 -34.98 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 63.219999999999999 111.087 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 62.100000000000001 110.818 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.341 . . . . 74.0 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -132.65 145.43 51.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.819 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.66 -110.75 1.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 72.329999999999998 112.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -58.59 -32.44 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 22.43 111.197 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -150.89 146.75 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 65.329999999999998 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -176.38 177.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 111.194 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.22 -32.01 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 111.112 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.689 ' H ' HG23 ' A' ' 22' ' ' THR . 2.2 mt-30 -68.72 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.230000000000004 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.3 mptp? -52.47 -29.82 26.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 73.329999999999998 110.884 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -78.32 -50.86 11.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.92 33.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 74.549999999999997 111.106 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -28.3 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 75.450000000000003 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 -20.54 15.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 110.915 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.2 -33.09 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 75.200000000000003 111.2 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.446 ' HA ' HG23 ' A' ' 34' ' ' THR . 30.8 p90 -106.99 16.14 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.430000000000007 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -96.49 -31.38 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.19 -8.01 52.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 75.439999999999998 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -123.52 -67.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 63.240000000000002 111.106 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 70.140000000000001 110.888 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.845 0.355 . . . . 72.319999999999993 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -159.57 136.1 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.420000000000002 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' C ' HG23 ' A' ' 20' ' ' THR . . . 114.08 98.17 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 53.43 112.52 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.456 HG23 ' C ' ' A' ' 19' ' ' GLY . 1.2 p 64.88 12.16 7.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 71.400000000000006 111.196 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 p 176.69 120.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.5 t -177.59 177.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 64.120000000000005 111.113 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -51.43 -31.24 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 63.200000000000003 111.133 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.739 ' H ' HG23 ' A' ' 22' ' ' THR . 19.0 mt-30 -69.25 -62.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 45.229999999999997 110.906 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.678 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.5 mptp? -55.46 -27.25 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.846 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.5 tp -81.23 -46.74 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.519999999999996 110.948 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.81 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.046 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -54.13 -26.6 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 73.239999999999995 110.849 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.14 -20.5 15.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 75.239999999999995 110.872 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.58 -32.91 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -106.85 19.39 20.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.230000000000004 110.926 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -101.41 -30.12 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.340000000000003 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -91.41 -17.1 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -118.25 -40.32 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.148 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.939 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.902 0.382 . . . . 74.030000000000001 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -133.19 154.04 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.030000000000001 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.89 -105.79 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 71.540000000000006 112.475 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.7 p -91.64 14.46 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 71.319999999999993 111.146 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -175.22 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 60.130000000000003 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.742 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.9 t -176.05 177.43 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 35.530000000000001 111.166 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 m -51.27 -29.97 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 111.132 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.742 ' H ' HG23 ' A' ' 22' ' ' THR . 14.4 mt-30 -72.6 -37.73 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 73.030000000000001 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.6 mptp? -86.56 -9.65 55.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.12 -36.78 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.71 -14.17 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 111.152 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -50.36 -29.32 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.85 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -103.12 -17.78 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -56.27 -31.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -107.65 14.25 25.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 75.129999999999995 110.938 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.15 -34.28 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 72.120000000000005 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -86.31 -11.35 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.4 -59.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 62.200000000000003 111.11 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 65.219999999999999 110.925 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.368 . . . . 75.519999999999996 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.673 ' CE1' HG21 ' A' ' 22' ' ' THR . 10.3 m-85 -160.45 -179.98 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 110.862 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 -71.49 0.71 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 54.329999999999998 112.447 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -113.64 1.4 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 73.219999999999999 111.18 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -179.17 153.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.210000000000001 110.929 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.673 HG21 ' CE1' ' A' ' 18' ' ' PHE . 14.7 t -177.12 177.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.010000000000005 111.176 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 m -50.1 -31.64 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 51.020000000000003 111.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.644 ' H ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -71.47 -62.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 63.130000000000003 110.916 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -55.29 -26.03 37.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.873 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.54 -47.63 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.55 38.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 71.420000000000002 111.06 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.22 -28.27 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.340000000000003 110.84 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -100.18 -20.8 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.881 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.89 -33.72 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -106.34 16.7 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -97.58 -32.37 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 75.239999999999995 110.958 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -89.25 -14.66 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -122.59 -44.98 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 111.193 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 110.834 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.916 0.389 . . . . 75.329999999999998 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -158.88 162.16 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.51 -112.14 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 61.210000000000001 112.496 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -59.1 -53.26 60.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 74.450000000000003 111.096 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 p -127.82 142.23 51.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 71.019999999999996 110.884 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.749 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.9 t -175.8 178.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 63.549999999999997 111.156 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.19 -31.65 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 61.100000000000001 111.117 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.749 ' H ' HG23 ' A' ' 22' ' ' THR . 6.8 mt-30 -70.2 -63.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 64.319999999999993 110.926 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -54.62 -27.63 40.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 73.340000000000003 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 tp -83.34 -38.94 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.03 -15.34 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 73.010000000000005 111.047 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -29.99 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 75.200000000000003 110.845 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -100.59 -19.59 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.019999999999996 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -53.89 -32.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 72.049999999999997 111.111 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -106.38 16.52 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.319999999999993 110.873 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -98.67 -31.18 12.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 43.119999999999997 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -93.91 -17.92 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.853 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 t -131.03 -42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 111.185 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 70.319999999999993 110.868 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.876 0.37 . . . . 71.120000000000005 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -161.88 148.22 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.87 -115.07 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 62.409999999999997 112.493 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.4 p -103.02 -18.29 15.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 73.230000000000004 111.117 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -127.42 71.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.219999999999999 110.897 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -125.89 -178.09 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 41.109999999999999 111.166 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.23 -31.29 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 63.25 111.167 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.712 ' H ' HG23 ' A' ' 22' ' ' THR . 3.1 mt-30 -66.53 -59.99 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.864 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -56.77 -24.54 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 72.409999999999997 110.844 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.72 -57.52 3.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.439999999999998 110.941 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.66 -24.3 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 111.084 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -51.8 -28.06 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 110.817 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.99 -19.08 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 60.329999999999998 110.874 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.05 -31.86 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.209999999999994 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -107.12 16.53 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.915 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -97.46 -30.85 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 62.420000000000002 110.914 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -91.07 -15.35 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 70.439999999999998 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -118.53 -44.45 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 111.137 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 63.420000000000002 110.849 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 73.439999999999998 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -155.3 148.35 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.909 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.3 91.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 74.049999999999997 112.519 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p 56.68 20.93 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 63.140000000000001 111.1 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 t -178.75 106.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 63.100000000000001 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.782 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.7 t -176.07 -179.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 111.155 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -50.97 -30.64 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.299999999999997 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.782 ' H ' HG23 ' A' ' 22' ' ' THR . 2.0 mt-30 -69.85 -52.33 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.9 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.679 ' CD ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -68.55 -24.67 64.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 62.229999999999997 110.956 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 tp -81.96 -44.41 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.43 110.952 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.52 44.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 111.06 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.6 -27.11 24.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.349999999999994 110.833 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -100.87 -20.19 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.942 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.37 -34.14 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 111.156 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -105.68 16.09 25.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.91 -31.7 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.527 . . . . 63.329999999999998 110.906 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -90.41 -14.36 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.91 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -122.81 -46.91 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 71.439999999999998 111.188 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.89 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.84 0.352 . . . . 62.130000000000003 110.829 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.668 ' CE2' HG21 ' A' ' 22' ' ' THR . 10.7 m-85 -149.24 177.41 9.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.109999999999999 110.875 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.33 -60.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 72.019999999999996 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -115.31 -33.92 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 62.509999999999998 111.131 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -144.78 143.3 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 72.349999999999994 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.775 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.2 t -176.6 178.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 111.202 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.15 -30.82 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.430000000000007 111.127 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.731 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 mt-30 -68.28 -44.07 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 71.150000000000006 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.775 ' HD3' HG22 ' A' ' 22' ' ' THR . 11.2 mptt -78.35 -23.76 46.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 63.5 110.862 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.0 tp -81.71 -44.06 17.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.72 42.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.075 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -53.91 -26.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.109999999999999 110.849 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.85 -19.62 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.010000000000005 110.846 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.02 -32.86 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 111.077 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -106.34 17.13 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.917 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -98.26 -29.05 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 53.509999999999998 110.945 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -93.25 -15.02 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -121.65 -43.03 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.127 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.049999999999997 110.876 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 74.299999999999997 110.827 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' HG21 ' A' ' 22' ' ' THR . 30.1 m-85 -157.73 149.87 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.540000000000006 110.849 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 93.65 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.757 . . . . 61.140000000000001 112.453 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 p 51.81 25.78 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 70.319999999999993 111.107 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -177.47 90.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 45.240000000000002 110.884 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.771 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.5 t -173.88 179.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 74.200000000000003 111.13 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -51.22 -30.82 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.119 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.771 ' H ' HG23 ' A' ' 22' ' ' THR . 2.1 mt-30 -70.52 -46.37 63.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 110.848 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -74.69 -21.15 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.549999999999997 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -86.64 -41.22 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 73.409999999999997 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.6 45.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -28.58 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 73.420000000000002 110.941 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.1 -21.67 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 110.937 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.28 -32.19 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 72.439999999999998 111.162 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.72 20.52 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.001 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -103.24 -32.12 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 74.349999999999994 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -89.03 -19.0 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 63.210000000000001 110.86 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -135.82 -40.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 54.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.3 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 55.109999999999999 110.812 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.782 0.325 . . . . 64.409999999999997 110.876 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -165.07 107.95 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.885 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.514 ' C ' HG23 ' A' ' 20' ' ' THR . . . 151.05 93.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.769 . . . . 45.200000000000003 112.436 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.514 HG23 ' C ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER 64.38 11.77 6.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 72.420000000000002 111.181 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 p 177.62 108.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 62.530000000000001 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.6 t -158.07 177.58 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 62.350000000000001 111.148 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -50.67 -31.72 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 74.349999999999994 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.688 ' H ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -70.3 -64.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.951 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -53.53 -28.2 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.340000000000003 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -82.22 -41.38 20.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 54.310000000000002 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.5 -15.72 58.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 53.340000000000003 111.108 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -25.97 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.829 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.66 -20.14 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 75.540000000000006 110.949 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.28 -33.95 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.439999999999998 111.199 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -106.12 16.6 24.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -97.46 -30.65 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 64.340000000000003 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -91.38 -13.0 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -121.53 -43.35 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.439999999999998 111.171 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.857 179.895 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.815 0.34 . . . . 74.140000000000001 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.666 ' CD1' HG21 ' A' ' 22' ' ' THR . 6.3 m-85 -153.5 168.22 26.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.230000000000004 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.99 -86.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 20.140000000000001 112.514 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 p -106.87 -24.2 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 54.109999999999999 111.231 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -140.53 129.89 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -175.54 177.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.109 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -50.4 -31.23 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.349999999999994 111.192 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.73 ' H ' HG23 ' A' ' 22' ' ' THR . 0.4 OUTLIER -70.56 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 110.926 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -53.57 -27.95 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.239999999999995 110.879 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.09 -42.62 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.26 -15.92 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.510000000000005 111.086 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -55.8 -25.56 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.350000000000001 110.771 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.44 -19.83 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.310000000000002 110.887 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -53.79 -33.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 65.329999999999998 111.154 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -106.17 17.42 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 110.954 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -99.19 -30.0 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 73.530000000000001 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -95.13 -17.02 22.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 110.827 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 t -130.38 -42.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 111.18 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.6 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 110.764 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.887 0.375 . . . . 75.329999999999998 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 3.0 m-85 -173.29 115.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -106.11 0.59 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 60.020000000000003 112.476 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.0 t -104.49 29.15 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 111.16 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -179.76 66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.2 t -133.7 -176.41 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 111.167 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.22 -30.48 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 63.039999999999999 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.699 ' H ' HG23 ' A' ' 22' ' ' THR . 4.7 mt-30 -68.87 -34.89 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 53.43 110.909 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 22' ' ' THR . 1.8 mptp? -88.66 -24.24 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.59 -39.05 22.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 110.943 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -62.17 -16.63 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 61.439999999999998 111.158 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -55.41 -25.67 37.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.866 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.81 -19.48 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.150000000000006 110.938 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.01 -32.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 61.109999999999999 111.085 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -106.7 16.5 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 110.899 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -97.51 -29.71 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.49 -15.65 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.319999999999993 110.886 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -121.33 -42.96 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 111.175 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 52.310000000000002 110.861 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.782 0.325 . . . . 74.0 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.692 ' CE1' HG21 ' A' ' 22' ' ' THR . 5.2 m-85 -153.16 166.11 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.923 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.1 -63.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 51.43 112.437 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -32.11 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 71.040000000000006 111.159 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -150.18 142.16 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.109999999999999 110.878 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.799 HG22 ' HD3' ' A' ' 25' ' ' LYS . 12.9 t -176.02 177.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 71.450000000000003 111.182 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 m -52.56 -30.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 71.319999999999993 111.129 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.735 ' H ' HG23 ' A' ' 22' ' ' THR . 3.2 mt-30 -71.88 -34.24 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 110.9 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.799 ' HD3' HG22 ' A' ' 22' ' ' THR . 13.7 mptt -91.36 -8.66 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.96 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.5 tp -100.69 -36.69 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 64.129999999999995 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.87 -14.05 50.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.400000000000006 111.167 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -50.54 -29.2 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 63.340000000000003 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -103.32 -17.12 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.109999999999999 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -56.79 -33.5 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.299999999999997 111.143 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -105.55 14.53 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -95.4 -32.02 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.986 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -89.98 -12.89 37.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 73.329999999999998 110.879 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.77 -45.21 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 71.349999999999994 111.126 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.1 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.519999999999996 110.912 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.847 0.356 . . . . 73.540000000000006 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HD1' HG21 ' A' ' 22' ' ' THR . 10.5 m-85 -147.51 163.09 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.349999999999994 110.895 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 -116.04 2.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 43.229999999999997 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.4 p -80.14 -26.83 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 64.530000000000001 111.154 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -133.52 125.42 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 51.310000000000002 110.837 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.6 t -172.38 177.87 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 62.32 111.188 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.23 -31.47 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 111.152 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.739 ' H ' HG23 ' A' ' 22' ' ' THR . 7.2 mt-30 -69.18 -42.16 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 110.856 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -79.81 -21.17 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 55.219999999999999 110.871 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.83 -38.78 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.519999999999996 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -59.85 -18.09 41.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.149 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -24.01 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.833 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -12.7 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 64.049999999999997 110.881 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -53.38 -29.28 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 111.065 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -112.65 17.83 18.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 64.519999999999996 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -103.85 -25.33 13.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 62.420000000000002 110.882 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -102.19 -14.36 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 63.119999999999997 110.868 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -137.04 -40.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 72.140000000000001 111.108 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.0 t0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.822 0.344 . . . . 75.010000000000005 110.805 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -160.67 157.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.18 -100.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 61.210000000000001 112.498 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.444 HG23 ' SG ' ' A' ' 21' ' ' CYS . 4.9 t -80.71 -32.79 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 62.049999999999997 111.182 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' A' ' 20' ' ' THR . 3.9 p -146.19 152.5 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.748 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.3 t -175.13 179.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.540000000000006 111.113 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.94 -30.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.748 ' H ' HG23 ' A' ' 22' ' ' THR . 2.9 mt-30 -69.21 -51.07 41.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.949 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.708 ' CD ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -70.58 -24.62 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.009999999999998 110.96 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 tp -81.22 -44.8 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.040000000000006 110.875 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.78 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 62.520000000000003 111.16 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.43 -26.97 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 72.329999999999998 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.26 -20.39 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 44.240000000000002 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.75 -32.31 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.32 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.46 ' HA ' HG23 ' A' ' 34' ' ' THR . 30.1 p90 -107.47 15.73 24.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.93 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -96.02 -30.93 13.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 72.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.58 -8.4 50.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.299999999999997 110.927 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -122.9 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 73.409999999999997 111.123 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.409999999999997 110.859 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 71.310000000000002 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 53.109999999999999 110.926 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.37 -94.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 73.349999999999994 112.497 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -31.09 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 70.109999999999999 111.198 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.13 152.0 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.040000000000006 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.863 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.4 t -176.11 174.46 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.439999999999998 111.189 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -51.45 -29.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 73.129999999999995 111.168 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.595 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 mt-30 -65.74 -72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 62.149999999999999 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.863 ' HD3' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -60.87 -18.13 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.929 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -81.9 -40.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -65.15 -14.7 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.137 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -57.18 -25.24 58.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 74.420000000000002 110.86 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -100.68 -19.68 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 55.020000000000003 110.938 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.68 -34.61 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 74.030000000000001 111.173 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -105.32 16.42 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.439999999999998 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -97.04 -30.68 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.209999999999994 110.961 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -91.68 -12.85 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 71.420000000000002 110.841 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.55 -43.34 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 111.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.230000000000004 110.887 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.868 0.366 . . . . 62.240000000000002 110.842 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -155.63 142.61 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 61.340000000000003 110.945 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.9 91.91 2.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 65.439999999999998 112.504 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p 59.83 18.32 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 71.200000000000003 111.11 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.6 t -179.17 109.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 60.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 24' ' ' GLN . 15.3 t -171.77 179.54 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 52.450000000000003 111.138 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.9 m -55.79 -30.48 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 54.450000000000003 111.194 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.646 ' H ' HG23 ' A' ' 22' ' ' THR . 6.6 mt-30 -69.7 -42.21 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 110.864 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -79.46 -22.87 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 65.25 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -84.11 -39.21 19.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.150000000000006 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -62.72 -16.08 55.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 65.25 111.101 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.5 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -101.86 -16.81 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -57.87 -32.29 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.437 ' HA ' HG23 ' A' ' 34' ' ' THR . 28.2 p90 -107.01 15.39 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.239999999999995 110.873 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.11 -33.5 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -87.37 -8.55 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.829 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -122.95 -60.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.340000000000003 111.104 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.95 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.893 0.377 . . . . 74.450000000000003 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.0 164.2 29.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 61.299999999999997 110.856 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.79 -170.23 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.926 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 160.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 72.200000000000003 110.86 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ptm -99.34 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.510000000000005 110.884 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -169.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 62.439999999999998 110.871 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -175.62 133.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 63.25 110.836 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CB ' HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -179.8 -176.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 61.439999999999998 110.883 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -45.29 80.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.430000000000007 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.98 74.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 64.420000000000002 112.398 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -109.66 -51.06 2.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.778 0.323 . . . . 53.130000000000003 110.892 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -103.45 17.32 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 74.109999999999999 110.842 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.96 37.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 72.319999999999993 110.857 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.0 t80 179.89 149.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.439999999999998 110.858 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.5 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -170.0 -32.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 71.430000000000007 112.474 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.67 133.26 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 60.409999999999997 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -34.73 68.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.049999999999997 110.914 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -159.09 141.29 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 110.867 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.13 -112.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 51.219999999999999 112.451 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.0 p -114.81 21.24 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 61.43 111.15 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 p -160.67 52.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.219999999999999 110.894 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.759 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.5 t -121.09 179.38 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 63.109999999999999 111.196 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 m -50.86 -31.66 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.030000000000001 111.103 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.759 ' H ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -69.23 -46.38 67.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 73.219999999999999 110.856 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.28 -23.51 59.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.120000000000005 110.929 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -83.37 -42.45 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 72.209999999999994 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.26 -19.05 42.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 111.095 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -28.37 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.809 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.91 -21.32 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.9 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.38 -34.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.340000000000003 111.145 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -105.5 16.72 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 74.209999999999994 110.928 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -97.74 -30.8 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.510000000000005 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -91.55 -12.7 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.922 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 -42.92 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 111.145 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 51.9 50.68 18.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.861 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -39.38 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.150000000000006 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.35 167.51 10.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 72.439999999999998 110.874 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -152.27 147.83 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 72.409999999999997 110.927 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -133.32 41.3 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.882 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.26 51.44 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.209999999999994 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 p -160.9 145.16 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 111.112 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -149.47 159.86 35.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.626 0.727 . . . . 63.240000000000002 111.067 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.9 Cg_endo -69.79 -29.7 23.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.275 . . . . 73.140000000000001 112.319 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -39.24 37.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 61.439999999999998 110.854 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -64.04 -42.08 97.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 51.130000000000003 110.857 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -68.88 -72.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 72.349999999999994 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.46 161.56 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 64.430000000000007 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.3 t -141.87 73.12 23.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 73.530000000000001 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -22.15 32.54 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.754 2.302 . . . . 71.310000000000002 112.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 60.63 49.55 6.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 73.030000000000001 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 76.81 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 53.210000000000001 112.559 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -117.24 19.04 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.409 -0.329 . . . . 73.049999999999997 110.944 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 44.210000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.895 0.379 . . . . 74.120000000000005 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.83 -46.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 70.239999999999995 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -52.28 -54.48 30.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.929 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t -164.53 155.41 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 64.019999999999996 110.889 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.6 150.83 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 72.409999999999997 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -169.13 154.84 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 71.150000000000006 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -138.02 39.03 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.32 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -162.66 -176.86 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.922 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -56.6 -47.27 79.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 64.319999999999993 110.916 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.75 39.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 33.219999999999999 112.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.663 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -64.3 -55.84 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 73.040000000000006 110.92 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.663 ' HG3' HD12 ' A' ' 11' ' ' LEU . 2.2 mtt-85 -98.95 25.9 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 75.049999999999997 110.905 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.6 34.3 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.120000000000005 110.876 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.0 t80 -179.95 149.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 64.420000000000002 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.5 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -169.43 -32.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 64.530000000000001 112.506 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.87 135.66 53.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 61.119999999999997 110.901 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -47.54 79.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 70.120000000000005 110.85 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -150.58 151.75 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 70.010000000000005 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.89 -103.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 45.030000000000001 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -121.49 -5.82 9.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.325 . . . . 71.519999999999996 111.101 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.16 51.75 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 30.129999999999999 110.885 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 24' ' ' GLN . 10.6 t -118.27 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.039999999999999 111.113 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -50.44 -31.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.130000000000003 111.182 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.734 ' H ' HG23 ' A' ' 22' ' ' THR . 7.3 mt-30 -70.03 -38.07 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.5 110.919 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -83.86 -18.72 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.219999999999999 110.803 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.72 -45.62 9.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.914 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -19.78 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.540000000000006 111.136 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -52.43 -27.66 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -101.34 -20.06 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 110.929 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.71 -32.81 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 63.340000000000003 111.198 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -106.55 17.66 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.409999999999997 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -98.95 -29.33 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 71.120000000000005 110.853 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.84 -15.09 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.852 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -120.94 -43.03 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 61.140000000000001 111.122 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t0 56.72 61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.230000000000004 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.37 -41.75 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 62.149999999999999 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -52.11 167.68 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 71.099999999999994 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' HD2' HG12 ' A' ' 41' ' ' VAL . 8.0 tptt -53.85 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 64.219999999999999 110.892 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 55.69 49.16 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.200000000000003 110.836 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 51.08 46.29 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.120000000000005 110.859 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG12 ' HD2' ' A' ' 38' ' ' LYS . 6.7 p -84.38 143.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.239999999999995 111.101 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -74.69 160.24 81.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.607 0.717 . . . . 51.329999999999998 111.045 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.1 Cg_endo -69.68 -42.14 3.76 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.66 2.24 . . . . 70.219999999999999 112.363 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -31.82 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 72.010000000000005 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -106.84 57.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 61.119999999999997 110.856 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -114.86 67.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 71.510000000000005 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -139.73 162.17 26.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 60.329999999999998 111.146 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -150.71 73.22 8.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 53.409999999999997 110.883 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.28 37.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 62.420000000000002 112.364 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 60.39 83.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.549999999999997 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.23 102.86 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 74.109999999999999 112.473 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -85.76 160.92 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 119.329 -0.367 . . . . 74.510000000000005 111.021 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 20.02 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 64.409999999999997 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -144.02 -70.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 72.450000000000003 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -52.58 159.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 169.77 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 53.329999999999998 110.912 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.2 tpp -157.01 121.54 4.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.109999999999999 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.02 -175.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 64.329999999999998 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.75 129.72 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 70.129999999999995 110.895 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.507 ' CB ' HD21 ' A' ' 11' ' ' LEU . 2.1 p90 -57.22 -177.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 72.120000000000005 110.955 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -67.65 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 110.935 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.91 75.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 73.340000000000003 112.427 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -110.08 -49.83 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 72.239999999999995 110.883 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.597 ' HG3' HD12 ' A' ' 11' ' ' LEU . 22.3 mtm180 -101.0 14.07 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.450000000000003 110.842 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.82 57.81 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.439999999999998 110.839 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.4 t80 -179.8 149.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 74.120000000000005 110.855 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.518 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -171.52 -31.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 71.140000000000001 112.546 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.4 p -113.41 121.62 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 64.120000000000005 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 64.099999999999994 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.618 ' CE2' HG21 ' A' ' 22' ' ' THR . 12.3 m-85 -147.15 -179.56 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.340000000000003 110.961 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 -77.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 53.020000000000003 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -116.63 -20.64 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 62.030000000000001 111.133 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 p -145.68 137.26 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.019999999999996 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.785 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.9 t -175.8 178.19 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 74.120000000000005 111.202 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -51.66 -30.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 111.095 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.744 ' H ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -68.81 -45.5 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 73.420000000000002 110.948 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.785 ' HD3' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -76.75 -23.16 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.836 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -83.0 -40.26 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 75.030000000000001 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.2 -18.34 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.230000000000004 111.073 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -28.13 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -99.77 -21.58 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 70.400000000000006 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.14 -35.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 54.409999999999997 111.101 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -104.69 18.46 22.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.908 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -100.2 -29.3 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -93.3 -12.41 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 -34.98 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 63.219999999999999 111.087 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.98 59.11 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 62.100000000000001 110.818 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.21 -36.59 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 63.100000000000001 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.45 26.15 14.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 73.530000000000001 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 71.430000000000007 110.859 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.71 -31.19 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 74.019999999999996 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.66 91.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.868 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -95.24 142.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 111.116 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -128.16 157.65 73.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 63.420000000000002 111.028 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.9 Cg_endo -69.69 -38.99 7.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 74.230000000000004 112.381 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -48.38 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.210000000000001 110.886 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t 52.15 39.19 26.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 71.230000000000004 110.831 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -134.0 91.13 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.926 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 161.64 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 72.129999999999995 111.074 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -143.01 68.08 17.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 74.25 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.61 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.696 2.264 . . . . 73.319999999999993 112.332 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.96 22.89 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 71.439999999999998 110.89 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.02 60.69 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 62.100000000000001 112.48 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -119.6 179.44 4.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 119.32 -0.371 . . . . 74.329999999999998 110.984 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 75.409999999999997 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 -42.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 110.831 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.36 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 63.310000000000002 110.946 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.97 175.56 9.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 72.329999999999998 110.824 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.4 mmt -101.27 -69.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 60.399999999999999 110.826 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -161.27 154.87 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.030000000000001 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -57.59 -37.76 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.938 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.574 ' CB ' HD21 ' A' ' 11' ' ' LEU . 3.8 p90 -149.58 -175.21 4.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.863 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -72.75 -67.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 70.420000000000002 110.93 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 41.240000000000002 112.514 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -113.92 -48.95 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 72.109999999999999 110.937 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -98.5 7.21 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.340000000000003 110.845 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -74.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.120000000000005 110.803 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.2 t80 179.25 144.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 64.109999999999999 110.882 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.92 21.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 52.450000000000003 112.473 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' SG ' HG23 ' A' ' 20' ' ' THR . 0.6 OUTLIER -148.47 120.12 8.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 72.239999999999995 110.826 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -64.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 74.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -132.65 145.43 51.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.819 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.66 -110.75 1.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 72.329999999999998 112.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 HG23 ' SG ' ' A' ' 16' ' ' CYS . 1.8 t -58.59 -32.44 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 22.43 111.197 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -150.89 146.75 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 65.329999999999998 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -176.38 177.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 111.194 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.22 -32.01 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 111.112 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.689 ' H ' HG23 ' A' ' 22' ' ' THR . 2.2 mt-30 -68.72 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.230000000000004 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.3 mptp? -52.47 -29.82 26.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 73.329999999999998 110.884 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -78.32 -50.86 11.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.92 33.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 74.549999999999997 111.106 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -28.3 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 75.450000000000003 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 -20.54 15.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 110.915 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.2 -33.09 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 75.200000000000003 111.2 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' HA ' HG23 ' A' ' 34' ' ' THR . 30.8 p90 -106.99 16.14 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.430000000000007 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -96.49 -31.38 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.19 -8.01 52.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 75.439999999999998 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -123.52 -67.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 63.240000000000002 111.106 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 51.6 88.51 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 70.140000000000001 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -103.91 146.16 29.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 73.109999999999999 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -135.08 -170.03 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.040000000000006 110.871 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 171.33 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 71.049999999999997 110.893 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -92.46 46.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -115.77 26.1 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 71.439999999999998 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 p -142.61 145.04 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 60.43 111.094 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -148.54 159.9 37.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.724 . . . . 65.310000000000002 111.069 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.2 Cg_endo -69.65 -16.73 38.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.732 2.288 . . . . 74.340000000000003 112.394 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -26.86 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 110.88 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -77.37 -34.58 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.140000000000001 110.887 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -75.16 -65.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.944 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.25 161.57 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.4 p -128.32 68.58 77.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 73.409999999999997 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -6.87 19.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 64.340000000000003 112.358 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -50.12 -44.95 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.140000000000001 110.859 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.37 102.84 1.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 54.329999999999998 112.463 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -89.46 175.09 7.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 119.365 -0.35 . . . . 74.319999999999993 110.989 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 30.309999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.902 0.382 . . . . 65.099999999999994 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.83 160.38 34.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 75.25 110.87 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -117.34 -179.6 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 72.099999999999994 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -176.26 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 70.049999999999997 110.889 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 39.0 mtt -110.56 122.41 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 73.439999999999998 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -146.97 -175.15 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 75.109999999999999 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -179.77 143.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 71.319999999999993 110.902 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.508 ' CB ' HD21 ' A' ' 11' ' ' LEU . 1.9 p90 -57.57 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.510000000000005 110.885 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.09 -59.56 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.310000000000002 110.961 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.11 75.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.721 . . . . 73.299999999999997 112.506 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -111.03 -49.87 2.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 74.129999999999995 110.871 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' HG3' HD12 ' A' ' 11' ' ' LEU . 84.2 mtt-85 -101.7 13.86 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 73.540000000000006 110.918 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.37 57.1 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 63.140000000000001 110.836 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.6 t80 179.37 143.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.349999999999994 110.835 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.22 21.97 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.745 . . . . 70.540000000000006 112.528 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.36 135.74 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 75.25 110.932 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 110.888 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -159.57 136.1 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.420000000000002 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' C ' HG23 ' A' ' 20' ' ' THR . . . 114.08 98.17 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 53.43 112.52 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.456 HG23 ' C ' ' A' ' 19' ' ' GLY . 1.2 p 64.88 12.16 7.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 71.400000000000006 111.196 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 p 176.69 120.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.5 t -177.59 177.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 64.120000000000005 111.113 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -51.43 -31.24 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 63.200000000000003 111.133 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.739 ' H ' HG23 ' A' ' 22' ' ' THR . 19.0 mt-30 -69.25 -62.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 45.229999999999997 110.906 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.678 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.5 mptp? -55.46 -27.25 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.846 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.5 tp -81.23 -46.74 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.519999999999996 110.948 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.81 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.046 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -54.13 -26.6 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 73.239999999999995 110.849 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.14 -20.5 15.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 75.239999999999995 110.872 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.58 -32.91 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -106.85 19.39 20.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.230000000000004 110.926 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -101.41 -30.12 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.340000000000003 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -91.41 -17.1 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -118.25 -40.32 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.148 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 57.75 59.47 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.939 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -76.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 62.299999999999997 110.851 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.68 149.59 46.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.266 -0.425 . . . . 64.420000000000002 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -152.58 148.16 27.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.010000000000005 110.876 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -136.13 36.94 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 63.119999999999997 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -86.58 52.64 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 71.510000000000005 110.896 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.37 138.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 61.229999999999997 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -119.67 157.98 50.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 51.340000000000003 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.8 Cg_endo -69.76 -39.64 6.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 62.140000000000001 112.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -55.09 -27.05 42.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 74.109999999999999 110.891 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -96.02 178.44 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 61.119999999999997 110.874 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -52.08 115.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.049999999999997 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 43' ' ' PRO . 4.0 mt -101.24 162.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 63.310000000000002 111.158 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.6 p -147.67 72.5 11.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.743 . . . . 64.409999999999997 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -40.55 5.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.244 . . . . 72.120000000000005 112.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 60.37 99.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 64.049999999999997 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.25 102.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 75.219999999999999 112.496 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.92 143.54 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 119.335 -0.364 . . . . 73.420000000000002 110.983 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 55.549999999999997 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.893 0.378 . . . . 73.409999999999997 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -71.95 151.59 43.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 71.299999999999997 110.821 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -164.27 167.35 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 62.350000000000001 110.886 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -112.3 170.93 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 24.43 110.924 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -28.49 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 55.549999999999997 110.899 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -140.42 157.06 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 75.319999999999993 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -64.55 -74.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 72.319999999999993 110.878 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.524 ' CB ' HD21 ' A' ' 11' ' ' LEU . 2.3 p90 -132.75 -175.63 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.299999999999997 110.923 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.72 -58.57 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.902 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.27 78.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 73.540000000000006 112.464 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -113.03 -48.89 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 72.530000000000001 110.912 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG3' HD12 ' A' ' 11' ' ' LEU . 61.6 mtt-85 -98.33 8.95 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.867 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.01 -50.45 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 110.796 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.1 t80 179.93 149.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.219999999999999 110.883 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -167.56 -32.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 53.43 112.456 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -113.5 141.57 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 62.340000000000003 110.855 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -67.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.030000000000001 110.928 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -133.19 154.04 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.030000000000001 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.89 -105.79 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 71.540000000000006 112.475 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.7 p -91.64 14.46 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 71.319999999999993 111.146 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -175.22 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 60.130000000000003 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.742 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.9 t -176.05 177.43 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 35.530000000000001 111.166 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 m -51.27 -29.97 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 111.132 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.742 ' H ' HG23 ' A' ' 22' ' ' THR . 14.4 mt-30 -72.6 -37.73 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 73.030000000000001 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.6 mptp? -86.56 -9.65 55.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.12 -36.78 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.71 -14.17 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 111.152 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -50.36 -29.32 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.85 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -103.12 -17.78 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -56.27 -31.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -107.65 14.25 25.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 75.129999999999995 110.938 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.15 -34.28 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 72.120000000000005 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -86.31 -11.35 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.4 -59.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 62.200000000000003 111.11 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t0 63.97 27.39 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 65.219999999999999 110.925 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.95 179.14 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 64.140000000000001 110.946 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -94.02 69.26 3.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 61.030000000000001 110.837 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -57.67 168.28 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 74.349999999999994 110.816 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.15 24.96 9.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 73.549999999999997 110.857 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.04 63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 70.010000000000005 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.0 t -118.16 142.22 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 111.074 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -125.39 158.24 64.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 71.099999999999994 111.12 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.4 Cg_endo -69.77 -45.64 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 74.109999999999999 112.293 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.39 -38.72 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 71.450000000000003 110.879 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.3 m -81.15 157.02 25.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 110.839 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.09 126.59 19.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 75.510000000000005 110.925 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -102.18 161.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 73.519999999999996 111.161 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.9 p -139.68 73.6 34.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 71.310000000000002 110.815 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -30.16 23.0 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.755 2.304 . . . . 43.240000000000002 112.347 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' NE2' ' H ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -74.67 -26.02 59.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 110.907 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.15 80.38 0.6 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 74.219999999999999 112.442 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -76.18 91.01 3.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 119.41 -0.328 . . . . 72.019999999999996 110.915 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 54.520000000000003 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.841 0.353 . . . . 71.510000000000005 110.842 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -93.02 130.67 38.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 54.240000000000002 110.789 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -129.85 149.87 51.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -5.48 51.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 71.109999999999999 110.819 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.5 mtt -126.84 114.41 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 73.329999999999998 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -131.65 133.74 45.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 62.25 110.885 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.6 100.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.904 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.466 ' CG ' HD21 ' A' ' 11' ' ' LEU . 2.9 p90 -171.28 175.43 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.230000000000004 110.832 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -58.7 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 70.120000000000005 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.48 84.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 61.509999999999998 112.513 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -119.03 -48.66 2.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.791 0.329 . . . . 60.219999999999999 110.908 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.64 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.9 mtp85 -98.91 9.83 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 62.329999999999998 110.847 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.77 60.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 74.219999999999999 110.908 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 60.6 t80 -147.99 -77.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 73.409999999999997 110.93 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 99.97 -80.91 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.655 -0.783 . . . . 65.129999999999995 112.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.02 176.19 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 65.430000000000007 110.905 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -55.67 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.519999999999996 110.944 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.673 ' CE1' HG21 ' A' ' 22' ' ' THR . 10.3 m-85 -160.45 -179.98 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 110.862 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 -71.49 0.71 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 54.329999999999998 112.447 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -113.64 1.4 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 73.219999999999999 111.18 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -179.17 153.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.210000000000001 110.929 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.673 HG21 ' CE1' ' A' ' 18' ' ' PHE . 14.7 t -177.12 177.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.010000000000005 111.176 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 m -50.1 -31.64 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 51.020000000000003 111.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.644 ' H ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -71.47 -62.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 63.130000000000003 110.916 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -55.29 -26.03 37.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.873 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.54 -47.63 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.55 38.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 71.420000000000002 111.06 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.22 -28.27 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.340000000000003 110.84 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -100.18 -20.8 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.881 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.89 -33.72 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -106.34 16.7 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -97.58 -32.37 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 75.239999999999995 110.958 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -89.25 -14.66 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -122.59 -44.98 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 111.193 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 52.97 89.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -101.55 -31.26 10.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -30.04 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.862 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -94.28 -24.88 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.874 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 58.08 25.12 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 110.824 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.1 57.21 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 62.109999999999999 110.869 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -113.26 140.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.019999999999996 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -130.46 157.78 76.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 45.539999999999999 111.105 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.6 Cg_endo -69.73 -32.22 19.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 70.319999999999993 112.352 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.7 -41.76 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 53.229999999999997 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -63.38 173.75 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 65.540000000000006 110.82 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -94.91 139.66 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 73.340000000000003 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -85.85 162.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 63.43 111.138 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.8 p -142.66 69.06 20.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 74.310000000000002 110.845 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -15.97 37.37 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 51.409999999999997 112.361 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -52.1 -30.11 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.87 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.87 100.76 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 73.200000000000003 112.488 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.24 130.2 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 119.355 -0.355 . . . . 55.43 110.943 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 11.31 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.868 0.366 . . . . 70.329999999999998 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.09 131.8 38.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 73.209999999999994 110.895 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -124.94 172.85 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.319999999999993 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.39 -4.42 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.866 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 ttt -106.21 150.85 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 73.140000000000001 110.884 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.37 153.89 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 52.049999999999997 110.879 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.83 107.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.512 ' CB ' HD21 ' A' ' 11' ' ' LEU . 2.2 p90 -178.14 -175.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 50.43 110.914 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -70.45 -57.85 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 74.430000000000007 110.844 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.35 78.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.714 -0.755 . . . . 75.140000000000001 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -112.95 -48.7 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 73.329999999999998 110.88 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG3' HD12 ' A' ' 11' ' ' LEU . 19.6 mtp85 -98.45 10.21 41.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.823 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -32.62 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 63.229999999999997 110.834 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.5 t80 179.51 144.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 62.109999999999999 110.943 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.21 21.48 0.15 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.400000000000006 112.512 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 p -127.39 93.23 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 42.420000000000002 110.881 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -47.53 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.892 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -158.88 162.16 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.51 -112.14 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 61.210000000000001 112.496 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -59.1 -53.26 60.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 74.450000000000003 111.096 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 p -127.82 142.23 51.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 71.019999999999996 110.884 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.749 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.9 t -175.8 178.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 63.549999999999997 111.156 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.19 -31.65 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 61.100000000000001 111.117 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.749 ' H ' HG23 ' A' ' 22' ' ' THR . 6.8 mt-30 -70.2 -63.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 64.319999999999993 110.926 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -54.62 -27.63 40.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 73.340000000000003 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 tp -83.34 -38.94 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.03 -15.34 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 73.010000000000005 111.047 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -29.99 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 75.200000000000003 110.845 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -100.59 -19.59 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.019999999999996 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -53.89 -32.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 72.049999999999997 111.111 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -106.38 16.52 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.319999999999993 110.873 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -98.67 -31.18 12.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 43.119999999999997 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -93.91 -17.92 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.853 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 t -131.03 -42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 111.185 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 61.4 65.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 70.319999999999993 110.868 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -58.97 163.79 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.984 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -178.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.450000000000003 110.844 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -127.83 -174.45 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.35 65.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.519999999999996 110.837 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 58.02 35.98 25.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.88 145.12 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 63.229999999999997 111.134 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -149.24 159.83 36.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 72.340000000000003 111.079 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.8 Cg_endo -69.71 -25.93 28.34 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.269 . . . . 73.340000000000003 112.373 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -83.04 -29.16 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 110.859 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -52.08 159.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 71.430000000000007 110.906 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.59 -179.9 3.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -130.46 162.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 75.420000000000002 111.154 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -126.86 75.95 75.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.731 0.777 . . . . 74.349999999999994 110.825 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.811 2.34 . . . . 74.340000000000003 112.265 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.45 5.95 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 73.010000000000005 110.862 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.3 -5.88 68.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 63.109999999999999 112.507 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.1 178.24 7.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 119.42 -0.324 . . . . 75.299999999999997 110.933 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 61.140000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.815 0.341 . . . . 71.420000000000002 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 174.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 65.420000000000002 110.798 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -178.41 172.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 63.420000000000002 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 t -162.49 163.6 27.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 64.109999999999999 110.772 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.3 mtt -90.91 -74.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 74.129999999999995 110.84 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.98 179.57 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 64.150000000000006 110.925 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -155.23 37.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 32.450000000000003 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CB ' HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -154.76 -175.54 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 64.340000000000003 110.914 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -69.23 -44.52 71.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.019999999999996 110.951 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.74 78.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 54.240000000000002 112.509 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -113.35 -47.28 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 73.420000000000002 110.891 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -93.14 6.22 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 110.891 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -46.02 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 71.239999999999995 110.89 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 38.9 t80 -76.94 -74.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 55.509999999999998 110.801 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.483 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 75.23 -65.21 2.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 51.210000000000001 112.467 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.53 163.99 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 53.530000000000001 110.851 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -36.9 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 71.120000000000005 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -161.88 148.22 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.87 -115.07 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 62.409999999999997 112.493 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.4 p -103.02 -18.29 15.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 73.230000000000004 111.117 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -127.42 71.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.219999999999999 110.897 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -125.89 -178.09 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 41.109999999999999 111.166 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.23 -31.29 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 63.25 111.167 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.712 ' H ' HG23 ' A' ' 22' ' ' THR . 3.1 mt-30 -66.53 -59.99 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.864 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -56.77 -24.54 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 72.409999999999997 110.844 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.72 -57.52 3.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.439999999999998 110.941 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.66 -24.3 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 111.084 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -51.8 -28.06 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 110.817 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.99 -19.08 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 60.329999999999998 110.874 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.05 -31.86 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.209999999999994 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -107.12 16.53 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.915 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -97.46 -30.85 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 62.420000000000002 110.914 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -91.07 -15.35 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 70.439999999999998 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -118.53 -44.45 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 111.137 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.8 t70 59.01 97.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 63.420000000000002 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.16 -71.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.340000000000003 110.909 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.97 137.75 26.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.832 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 139.16 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.120000000000005 110.936 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -58.23 -50.94 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 64.439999999999998 110.895 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.57 32.18 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 p -92.04 147.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 111.123 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -74.45 160.43 81.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.629 0.728 . . . . 73.409999999999997 111.09 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 52.7 Cg_endo -69.83 -36.95 9.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 65.409999999999997 112.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.54 -26.43 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 110.897 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.91 104.54 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 72.340000000000003 110.822 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -117.35 31.68 6.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -112.59 162.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 111.118 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t -160.14 74.18 2.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 63.350000000000001 110.782 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 73.099999999999994 112.286 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 65.14 67.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.409999999999997 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.8 28.58 25.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 51.420000000000002 112.497 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -133.46 134.12 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.382 -0.342 . . . . 73.400000000000006 110.897 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 10.529999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.898 0.38 . . . . 73.219999999999999 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -161.6 148.53 14.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 75.120000000000005 110.82 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -162.02 175.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 51.520000000000003 110.917 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 t -134.34 178.74 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.310000000000002 110.896 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.4 mtt -124.03 149.14 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 110.853 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -108.58 -178.92 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.200000000000003 110.92 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -115.23 -33.01 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 110.916 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.445 ' CG ' HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -143.8 -177.25 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.885 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -57.31 -47.56 81.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.219999999999999 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.26 37.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 64.319999999999993 112.491 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD21 ' CG ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -61.47 -66.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 75.219999999999999 110.952 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -84.68 -30.55 24.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.140000000000001 110.867 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.54 ' OG ' HD21 ' A' ' 26' ' ' LEU . 16.0 t 46.22 35.18 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.32 110.824 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.3 t80 -179.69 149.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 110.873 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.512 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -172.13 -31.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.718 . . . . 51.109999999999999 112.517 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 123.47 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 73.030000000000001 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -63.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -155.3 148.35 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.909 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.3 91.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 74.049999999999997 112.519 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p 56.68 20.93 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 63.140000000000001 111.1 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 t -178.75 106.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 63.100000000000001 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.782 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.7 t -176.07 -179.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 111.155 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -50.97 -30.64 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.299999999999997 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.782 ' H ' HG23 ' A' ' 22' ' ' THR . 2.0 mt-30 -69.85 -52.33 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.9 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.679 ' CD ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -68.55 -24.67 64.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 62.229999999999997 110.956 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD21 ' OG ' ' A' ' 13' ' ' SER . 24.2 tp -81.96 -44.41 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.43 110.952 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.52 44.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 111.06 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.6 -27.11 24.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.349999999999994 110.833 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -100.87 -20.19 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.942 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.37 -34.14 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 111.156 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -105.68 16.09 25.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.91 -31.7 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.527 . . . . 63.329999999999998 110.906 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -90.41 -14.36 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.91 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.403 HG21 ' HE2' ' A' ' 36' ' ' LYS . 1.6 t -122.81 -46.91 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 71.439999999999998 111.188 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t0 57.15 63.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE2' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.38 -41.85 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.450000000000003 110.907 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.14 -177.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.878 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -50.99 150.34 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.42 46.48 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.86 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -86.0 53.32 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.4 t -100.93 142.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 65.430000000000007 111.153 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -121.94 158.26 55.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 64.540000000000006 111.138 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.3 Cg_endo -69.75 -39.92 5.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 74.519999999999996 112.339 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -57.56 -25.52 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 110.916 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.2 m -120.13 29.93 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.827 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.55 133.01 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 52.210000000000001 110.891 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.16 161.69 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 55.020000000000003 111.113 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 m -148.77 70.46 10.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.689 0.757 . . . . 73.25 110.875 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.01 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 64.310000000000002 112.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 58.85 20.36 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 75.25 111.007 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.39 54.6 0.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.693 -0.765 . . . . 52.299999999999997 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.32 150.15 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.38 -0.343 . . . . 73.120000000000005 110.968 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 62.32 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.906 0.384 . . . . 75.5 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -176.51 86.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -153.02 163.76 39.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.94 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.74 -173.94 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 53.210000000000001 110.879 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 46.1 mtt -111.19 -51.9 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 62.399999999999999 110.901 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.32 160.92 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 71.329999999999998 110.871 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -169.21 138.03 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 61.009999999999998 110.915 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.445 ' CG ' HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -55.6 179.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.903 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -54.24 -48.27 71.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.400000000000006 110.944 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.13 37.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.319999999999993 112.491 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD12 ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -61.28 -67.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 72.420000000000002 110.895 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.784 ' HG2' HD12 ' A' ' 11' ' ' LEU . 27.9 mmm180 -84.18 -30.93 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.140000000000001 110.895 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t 46.69 34.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.510000000000005 110.891 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.3 t80 179.33 144.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 72.230000000000004 110.907 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.57 22.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 73.409999999999997 112.466 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' HG23 ' A' ' 20' ' ' THR . 0.8 OUTLIER -152.89 134.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 54.140000000000001 110.888 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -59.05 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 62.130000000000003 110.829 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.668 ' CE2' HG21 ' A' ' 22' ' ' THR . 10.7 m-85 -149.24 177.41 9.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.109999999999999 110.875 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.33 -60.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 72.019999999999996 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' SG ' ' A' ' 16' ' ' CYS . 1.1 t -115.31 -33.92 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 62.509999999999998 111.131 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -144.78 143.3 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 72.349999999999994 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.775 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.2 t -176.6 178.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 111.202 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.15 -30.82 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.430000000000007 111.127 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.731 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 mt-30 -68.28 -44.07 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 71.150000000000006 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.775 ' HD3' HG22 ' A' ' 22' ' ' THR . 11.2 mptt -78.35 -23.76 46.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 63.5 110.862 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.0 tp -81.71 -44.06 17.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.72 42.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.075 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -53.91 -26.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.109999999999999 110.849 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.85 -19.62 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.010000000000005 110.846 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.02 -32.86 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 111.077 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -106.34 17.13 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.917 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -98.26 -29.05 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 53.509999999999998 110.945 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -93.25 -15.02 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -121.65 -43.03 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.127 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 54.57 82.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.049999999999997 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -92.74 -64.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 70.209999999999994 110.959 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.36 178.87 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.881 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.93 141.11 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 63.049999999999997 110.906 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -122.65 56.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.89 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -134.26 28.69 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.839 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.29 142.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 111.084 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -127.55 158.09 70.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 71.25 111.055 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.5 Cg_endo -69.73 -20.39 35.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.679 2.252 . . . . 61.409999999999997 112.376 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -77.49 -35.62 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.109999999999999 110.876 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -80.3 -45.99 16.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 73.019999999999996 110.845 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.06 -176.66 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 73.540000000000006 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.56 161.97 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 51.140000000000001 111.103 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -143.87 73.26 16.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.748 . . . . 71.230000000000004 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -16.93 37.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.75 2.3 . . . . 73.510000000000005 112.3 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -52.06 -36.29 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 71.349999999999994 110.937 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.28 97.74 2.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 61.509999999999998 112.512 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -87.66 118.01 26.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.352 -0.356 . . . . 73.310000000000002 110.942 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 74.349999999999994 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.912 0.387 . . . . 75.019999999999996 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -36.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 71.409999999999997 110.913 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -59.9 169.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 43.450000000000003 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t -103.41 159.78 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.923 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 mtm -110.42 -62.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.109999999999999 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -162.84 163.23 26.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 50.32 110.821 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.83 126.38 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 71.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -179.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.039999999999999 110.936 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -54.95 -48.25 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.871 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.03 39.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 63.100000000000001 112.53 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.674 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -63.51 -56.03 19.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.430000000000007 110.913 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.674 ' HG3' HD12 ' A' ' 11' ' ' LEU . 89.2 mtt180 -96.85 23.27 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 63.539999999999999 110.821 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.63 71.49 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.409999999999997 110.885 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 1.9 t80 179.0 144.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 64.25 110.935 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.62 19.71 0.12 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.694 -0.765 . . . . 73.310000000000002 112.452 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 116.58 9.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 62.340000000000003 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -57.65 -52.9 63.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.827 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' HG21 ' A' ' 22' ' ' THR . 30.1 m-85 -157.73 149.87 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.540000000000006 110.849 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 93.65 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.757 . . . . 61.140000000000001 112.453 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 p 51.81 25.78 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 70.319999999999993 111.107 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -177.47 90.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 45.240000000000002 110.884 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.771 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.5 t -173.88 179.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 74.200000000000003 111.13 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -51.22 -30.82 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.119 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.771 ' H ' HG23 ' A' ' 22' ' ' THR . 2.1 mt-30 -70.52 -46.37 63.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 110.848 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -74.69 -21.15 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.549999999999997 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -86.64 -41.22 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 73.409999999999997 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.6 45.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -28.58 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 73.420000000000002 110.941 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.1 -21.67 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 110.937 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.28 -32.19 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 72.439999999999998 111.162 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.72 20.52 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.001 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -103.24 -32.12 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 74.349999999999994 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -89.03 -19.0 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 63.210000000000001 110.86 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -135.82 -40.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 54.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.3 t0 64.71 59.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 55.109999999999999 110.812 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -29.14 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.530000000000001 110.837 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.53 -177.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 74.25 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -51.32 156.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.430000000000007 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.7 61.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.409999999999997 110.907 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 51.55 37.15 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.409999999999997 110.886 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.02 144.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 61.240000000000002 111.134 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -76.3 160.47 77.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.546 0.688 . . . . 71.530000000000001 111.123 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.3 Cg_endo -69.72 -20.38 35.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 63.130000000000003 112.345 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.57 -35.0 40.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -40.96 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 71.140000000000001 110.86 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -130.93 142.44 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 65.430000000000007 110.854 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -89.18 161.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 75.120000000000005 111.12 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t -153.05 73.31 7.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 72.129999999999995 110.897 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -30.59 21.83 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 64.340000000000003 112.345 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 60.21 98.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 74.120000000000005 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 97.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 73.530000000000001 112.528 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -64.74 162.29 16.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.359 -0.353 . . . . 75.200000000000003 110.889 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 20.32 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.351 . . . . 65.5 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -67.19 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 74.349999999999994 110.827 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.73 179.93 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 110.848 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 152.34 36.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 110.834 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmm -148.16 149.3 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 74.109999999999999 110.932 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.79 125.35 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 74.540000000000006 110.902 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -115.51 -25.42 7.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 72.239999999999995 110.932 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.487 ' CB ' HD21 ' A' ' 11' ' ' LEU . 1.2 p90 -113.6 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 71.120000000000005 110.929 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -67.86 -51.05 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.39 74.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 71.030000000000001 112.526 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -110.06 -51.04 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 71.109999999999999 110.924 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HG3' HD12 ' A' ' 11' ' ' LEU . 18.4 mtp180 -96.67 10.96 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 63.420000000000002 110.904 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -76.56 66.62 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.549999999999997 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.0 t80 178.87 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 74.239999999999995 110.827 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.57 21.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 62.210000000000001 112.519 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.1 p -152.7 109.11 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 71.439999999999998 110.837 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.0 -28.95 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 64.409999999999997 110.876 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -165.07 107.95 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.885 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.514 ' C ' HG23 ' A' ' 20' ' ' THR . . . 151.05 93.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.769 . . . . 45.200000000000003 112.436 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.514 HG23 ' C ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER 64.38 11.77 6.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 72.420000000000002 111.181 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 p 177.62 108.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 62.530000000000001 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.6 t -158.07 177.58 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 62.350000000000001 111.148 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -50.67 -31.72 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 74.349999999999994 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.688 ' H ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -70.3 -64.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.951 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -53.53 -28.2 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.340000000000003 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -82.22 -41.38 20.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 54.310000000000002 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.5 -15.72 58.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 53.340000000000003 111.108 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -25.97 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.829 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.66 -20.14 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 75.540000000000006 110.949 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.28 -33.95 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.439999999999998 111.199 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -106.12 16.6 24.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -97.46 -30.65 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 64.340000000000003 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -91.38 -13.0 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -121.53 -43.35 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.439999999999998 111.171 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.7 t0 55.81 69.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.857 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -65.99 -34.97 79.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 74.510000000000005 110.843 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -176.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 72.319999999999993 110.914 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 135.93 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 70.299999999999997 110.919 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -127.04 33.36 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 73.340000000000003 110.803 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -87.8 53.64 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.319999999999993 110.954 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.77 140.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 43.310000000000002 111.167 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -121.52 158.24 54.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.533 0.683 . . . . 72.329999999999998 111.09 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.6 Cg_endo -69.78 -23.44 30.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.601 2.2 . . . . 75.209999999999994 112.337 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.94 41.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.450000000000003 110.803 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 t -97.52 129.09 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 61.329999999999998 110.921 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.72 ' O ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.22 90.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 74.430000000000007 110.894 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 46' ' ' LYS . 5.6 mm -127.02 162.36 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 62.130000000000003 111.128 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -148.48 72.26 10.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 72.120000000000005 110.802 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.8 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.737 2.291 . . . . 74.310000000000002 112.304 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -38.29 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 74.450000000000003 110.811 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.07 47.86 3.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 74.219999999999999 112.502 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.88 173.4 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 119.387 -0.34 . . . . 72.519999999999996 110.975 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 65.010000000000005 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 74.329999999999998 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.26 177.63 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.150000000000006 110.861 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -135.61 -178.38 5.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.901 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -101.64 165.95 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 53.5 110.894 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.9 ptp -127.12 155.69 42.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 74.019999999999996 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.14 161.44 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 65.5 110.867 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -121.22 -34.75 3.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CG ' HD21 ' A' ' 11' ' ' LEU . 4.3 p90 -111.66 -174.91 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 70.349999999999994 110.853 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.65 -71.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 63.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.89 30.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.744 -0.741 . . . . 54.549999999999997 112.471 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD21 ' CG ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -51.52 -67.14 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 71.0 110.87 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -94.08 31.31 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.209999999999994 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.5 p -76.63 66.78 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 54.030000000000001 110.881 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.2 t80 179.24 144.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.310000000000002 110.884 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.67 21.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 73.310000000000002 112.492 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -146.18 118.39 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 43.329999999999998 110.889 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -60.74 3.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 74.140000000000001 110.859 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.666 ' CD1' HG21 ' A' ' 22' ' ' THR . 6.3 m-85 -153.5 168.22 26.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.230000000000004 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.99 -86.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 20.140000000000001 112.514 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 p -106.87 -24.2 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 54.109999999999999 111.231 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -140.53 129.89 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -175.54 177.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.109 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -50.4 -31.23 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.349999999999994 111.192 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.73 ' H ' HG23 ' A' ' 22' ' ' THR . 0.4 OUTLIER -70.56 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 110.926 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -53.57 -27.95 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.239999999999995 110.879 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.09 -42.62 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.26 -15.92 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.510000000000005 111.086 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -55.8 -25.56 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.350000000000001 110.771 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.44 -19.83 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.310000000000002 110.887 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -53.79 -33.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 65.329999999999998 111.154 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -106.17 17.42 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 110.954 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -99.19 -30.0 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 73.530000000000001 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -95.13 -17.02 22.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 110.827 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 t -130.38 -42.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 111.18 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.6 t0 61.02 74.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 110.764 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -72.86 172.72 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.99 36.09 17.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.540000000000006 110.872 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -67.08 155.08 39.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.030000000000001 110.92 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -137.32 72.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 110.792 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 56.37 73.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 71.049999999999997 110.877 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -145.82 142.55 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 71.209999999999994 111.126 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.541 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -127.02 158.17 69.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 75.019999999999996 111.154 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.3 Cg_endo -69.81 -35.46 12.47 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.702 2.268 . . . . 64.230000000000004 112.267 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -92.04 -46.18 7.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 71.409999999999997 110.874 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.541 ' OG ' ' HB3' ' A' ' 42' ' ' ALA . 10.0 p -87.8 144.64 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 55.100000000000001 110.896 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -127.27 27.67 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.109999999999999 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -104.55 161.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 65.129999999999995 111.199 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.3 p -145.04 68.07 13.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 73.409999999999997 110.826 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 54.420000000000002 112.337 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -77.22 -52.7 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.200000000000003 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.57 -0.53 73.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.714 -0.755 . . . . 53.109999999999999 112.489 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.98 164.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 119.388 -0.339 . . . . 52.439999999999998 110.875 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 25.309999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.939 0.399 . . . . 73.409999999999997 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 169.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 61.439999999999998 110.903 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -173.18 173.56 3.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 75.019999999999996 110.902 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.29 170.17 13.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 72.409999999999997 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -108.13 -17.72 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.329999999999998 110.914 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -160.29 -179.32 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 64.319999999999993 110.866 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.99 133.46 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.888 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.437 ' CG ' HD21 ' A' ' 11' ' ' LEU . 2.8 p90 -58.36 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 75.040000000000006 110.92 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -63.37 -67.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 71.209999999999994 110.895 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.25 33.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 73.010000000000005 112.453 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -58.04 -56.36 22.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 73.420000000000002 110.926 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.762 ' HG3' HD12 ' A' ' 11' ' ' LEU . 24.1 mtt85 -100.99 19.84 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 73.230000000000004 110.865 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -24.84 49.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 53.219999999999999 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 9.0 t80 -176.62 148.9 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 110.883 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.552 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . 176.36 -26.15 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.711 -0.757 . . . . 64.430000000000007 112.42 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.1 p -106.84 -31.71 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 71.439999999999998 110.867 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 75.39 -4.58 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.928 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 3.0 m-85 -173.29 115.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -106.11 0.59 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 60.020000000000003 112.476 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.0 t -104.49 29.15 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 111.16 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -179.76 66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.2 t -133.7 -176.41 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 111.167 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.22 -30.48 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 63.039999999999999 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.699 ' H ' HG23 ' A' ' 22' ' ' THR . 4.7 mt-30 -68.87 -34.89 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 53.43 110.909 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 22' ' ' THR . 1.8 mptp? -88.66 -24.24 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.59 -39.05 22.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 110.943 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -62.17 -16.63 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 61.439999999999998 111.158 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -55.41 -25.67 37.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.866 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.81 -19.48 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.150000000000006 110.938 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.01 -32.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 61.109999999999999 111.085 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -106.7 16.5 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 110.899 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -97.51 -29.71 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.49 -15.65 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.319999999999993 110.886 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -121.33 -42.96 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 111.175 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 52.08 53.36 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 52.310000000000002 110.861 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -57.53 179.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 75.299999999999997 110.809 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.06 81.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -66.14 149.86 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 53.520000000000003 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.12 49.12 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.804 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 59.82 36.38 22.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 63.439999999999998 110.825 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 p -70.42 144.03 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.430000000000007 111.111 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -81.38 160.2 65.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.491 0.663 . . . . 74.230000000000004 111.195 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.8 Cg_endo -69.77 -39.29 6.67 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 73.040000000000006 112.368 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -56.57 -24.66 48.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -51.84 123.12 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 63.109999999999999 110.804 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' O ' HD13 ' A' ' 47' ' ' ILE . 1.9 tptm -85.19 132.74 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.865 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 46' ' ' LYS . 5.5 mm -120.7 162.32 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 62.399999999999999 111.129 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.05 69.54 9.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.703 0.763 . . . . 54.439999999999998 110.85 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.35 36.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 73.409999999999997 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -37.03 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 62.329999999999998 110.95 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 100.4 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 63.32 112.509 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -100.31 170.67 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.372 -0.347 . . . . 71.239999999999995 110.924 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 20.23 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.948 0.404 . . . . 74.430000000000007 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.11 28.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 72.439999999999998 110.861 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -110.37 167.5 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.89 169.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.450000000000003 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.41 137.45 1.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 70.140000000000001 110.855 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -156.3 -171.29 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.200000000000003 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -148.72 123.2 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 64.329999999999998 110.857 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.521 ' CG ' HD21 ' A' ' 11' ' ' LEU . 4.0 p90 -58.88 -174.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.928 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -64.47 -69.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.64 30.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 55.210000000000001 112.539 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD21 ' CG ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -51.38 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 70.230000000000004 110.91 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -85.52 -33.38 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.25 110.871 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 t 46.58 35.13 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 61.100000000000001 110.866 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.5 t80 179.35 144.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 73.219999999999999 110.836 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.76 22.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 54.420000000000002 112.481 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.76 133.42 13.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 73.319999999999993 110.876 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -51.68 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.692 ' CE1' HG21 ' A' ' 22' ' ' THR . 5.2 m-85 -153.16 166.11 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.923 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.1 -63.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 51.43 112.437 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -32.11 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 71.040000000000006 111.159 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -150.18 142.16 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.109999999999999 110.878 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.799 HG22 ' HD3' ' A' ' 25' ' ' LYS . 12.9 t -176.02 177.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 71.450000000000003 111.182 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 m -52.56 -30.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 71.319999999999993 111.129 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.735 ' H ' HG23 ' A' ' 22' ' ' THR . 3.2 mt-30 -71.88 -34.24 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 110.9 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.799 ' HD3' HG22 ' A' ' 22' ' ' THR . 13.7 mptt -91.36 -8.66 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.96 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.5 tp -100.69 -36.69 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 64.129999999999995 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.87 -14.05 50.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.400000000000006 111.167 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -50.54 -29.2 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 63.340000000000003 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -103.32 -17.12 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.109999999999999 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -56.79 -33.5 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.299999999999997 111.143 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -105.55 14.53 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -95.4 -32.02 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.986 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -89.98 -12.89 37.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 73.329999999999998 110.879 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.77 -45.21 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 71.349999999999994 111.126 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.1 t0 51.46 71.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.519999999999996 110.912 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -84.25 179.95 7.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 63.310000000000002 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.48 157.01 5.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 110.865 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -52.75 146.36 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -140.88 8.95 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 71.329999999999998 110.847 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.67 102.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.350000000000001 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.85 142.9 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.019999999999996 111.098 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -128.05 157.38 74.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 50.210000000000001 111.076 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.6 Cg_endo -69.8 -45.36 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.232 . . . . 70.099999999999994 112.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.68 -39.07 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 73.129999999999995 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -58.9 164.64 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -123.12 137.04 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 74.349999999999994 110.881 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.62 162.08 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 72.109999999999999 111.162 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -146.72 71.21 12.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 74.049999999999997 110.855 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -41.06 4.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 2.251 . . . . 55.329999999999998 112.351 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 61.84 56.48 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 70.549999999999997 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.88 80.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 60.119999999999997 112.512 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -119.08 137.81 53.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 119.364 -0.35 . . . . 75.010000000000005 110.922 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 14.32 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 74.310000000000002 110.941 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -82.31 -26.24 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 72.510000000000005 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -56.51 -38.69 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.010000000000005 110.9 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.63 -3.36 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.805 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.5 ttp -115.03 112.3 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.140000000000001 110.876 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.75 151.12 30.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 70.430000000000007 110.886 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.3 60.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 34.299999999999997 110.898 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.695 ' HB2' HD21 ' A' ' 11' ' ' LEU . 4.6 p90 -172.47 -174.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 73.409999999999997 110.902 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -76.41 -73.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.030000000000001 110.94 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.64 85.47 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 71.219999999999999 112.455 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -113.39 -51.85 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 61.520000000000003 110.853 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -115.23 7.23 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.915 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.41 59.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.530000000000001 110.895 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.2 t80 179.12 144.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 75.239999999999995 110.894 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.82 22.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 75.310000000000002 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 p -143.82 116.78 8.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 64.219999999999999 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -55.81 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 73.540000000000006 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HD1' HG21 ' A' ' 22' ' ' THR . 10.5 m-85 -147.51 163.09 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.349999999999994 110.895 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 -116.04 2.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 43.229999999999997 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.4 p -80.14 -26.83 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 64.530000000000001 111.154 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -133.52 125.42 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 51.310000000000002 110.837 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.6 t -172.38 177.87 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 62.32 111.188 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.23 -31.47 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 111.152 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.739 ' H ' HG23 ' A' ' 22' ' ' THR . 7.2 mt-30 -69.18 -42.16 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 110.856 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -79.81 -21.17 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 55.219999999999999 110.871 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.83 -38.78 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.519999999999996 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -59.85 -18.09 41.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.149 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -24.01 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.833 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -12.7 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 64.049999999999997 110.881 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -53.38 -29.28 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 111.065 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -112.65 17.83 18.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 64.519999999999996 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -103.85 -25.33 13.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 62.420000000000002 110.882 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -102.19 -14.36 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 63.119999999999997 110.868 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -137.04 -40.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 72.140000000000001 111.108 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.0 t0 58.1 70.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 110.88 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.12 172.84 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 74.209999999999994 110.844 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.33 58.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 60.439999999999998 110.843 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -173.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.310000000000002 110.971 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.523 ' CG ' HG23 ' A' ' 41' ' ' VAL . 10.6 t0 -51.26 -69.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 75.019999999999996 110.88 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.25 39.55 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 50.340000000000003 110.932 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' CG ' ' A' ' 39' ' ' ASP . 95.3 t -87.99 143.24 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 63.409999999999997 111.144 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -128.38 157.37 74.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 52.340000000000003 111.124 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.3 Cg_endo -69.85 -22.56 31.48 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.701 2.267 . . . . 74.010000000000005 112.311 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.78 -26.33 54.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 63.119999999999997 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 p -113.93 117.53 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 60.32 110.861 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -111.35 74.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 70.150000000000006 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -141.0 160.65 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 53.299999999999997 111.202 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -166.7 72.2 1.1 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 75.140000000000001 110.798 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.669 2.246 . . . . 70.129999999999995 112.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.4 32.2 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 36.98 3.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 73.549999999999997 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -118.87 26.72 9.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.38 -0.343 . . . . 70.450000000000003 110.86 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 11.43 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 74.510000000000005 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.8 131.01 54.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 75.450000000000003 110.85 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.14 161.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.904 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -169.37 177.28 4.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 50.210000000000001 110.864 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 ptp -135.62 -171.65 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 55.399999999999999 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -127.06 150.92 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 70.040000000000006 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -114.4 -27.72 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.433 ' CG ' HD21 ' A' ' 11' ' ' LEU . 2.4 p90 -110.0 -175.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 62.409999999999997 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.47 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 52.200000000000003 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.0 34.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.716 . . . . 42.109999999999999 112.505 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -55.47 -57.36 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 71.519999999999996 110.976 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.759 ' HG2' HD12 ' A' ' 11' ' ' LEU . 1.8 mmt-85 -100.43 -10.26 21.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 65.150000000000006 110.84 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 t -51.75 -30.79 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 71.230000000000004 110.855 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 23.6 t80 -111.86 -77.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 55.229999999999997 110.882 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.551 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 26.58 58.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 63.340000000000003 112.485 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.6 p -155.25 82.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 54.350000000000001 110.82 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -44.19 39.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.010000000000005 110.805 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -160.67 157.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.18 -100.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 61.210000000000001 112.498 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.444 HG23 ' SG ' ' A' ' 21' ' ' CYS . 4.9 t -80.71 -32.79 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 62.049999999999997 111.182 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' A' ' 20' ' ' THR . 3.9 p -146.19 152.5 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.748 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.3 t -175.13 179.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.540000000000006 111.113 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.94 -30.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.748 ' H ' HG23 ' A' ' 22' ' ' THR . 2.9 mt-30 -69.21 -51.07 41.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.949 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.708 ' CD ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -70.58 -24.62 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.009999999999998 110.96 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 tp -81.22 -44.8 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.040000000000006 110.875 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.78 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 62.520000000000003 111.16 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.43 -26.97 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 72.329999999999998 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.26 -20.39 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 44.240000000000002 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.75 -32.31 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.32 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' HA ' HG23 ' A' ' 34' ' ' THR . 30.1 p90 -107.47 15.73 24.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.93 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -96.02 -30.93 13.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 72.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.58 -8.4 50.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.299999999999997 110.927 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -122.9 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 73.409999999999997 111.123 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 51.21 57.01 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.409999999999997 110.859 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -54.58 164.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 72.299999999999997 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 153.73 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.549999999999997 110.779 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.67 144.45 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.831 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -102.44 30.99 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 63.020000000000003 110.856 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -126.3 26.14 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.329999999999998 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.54 148.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 61.200000000000003 111.143 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -74.75 160.38 81.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.120000000000005 111.135 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.7 Cg_endo -69.81 -38.36 7.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 75.010000000000005 112.323 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -51.39 58.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.310000000000002 110.875 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -52.87 -44.04 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 62.140000000000001 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -77.35 129.6 36.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 73.230000000000004 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -124.85 162.1 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 55.340000000000003 111.15 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -154.14 73.4 6.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.671 0.748 . . . . 72.420000000000002 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.03 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.779 2.319 . . . . 73.129999999999995 112.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -22.6 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.099999999999994 110.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.75 97.58 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 64.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -103.25 21.96 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 119.384 -0.341 . . . . 73.450000000000003 110.879 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 3.3300000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.916 0.388 . . . . 74.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -112.19 -65.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -145.72 -177.9 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 63.210000000000001 110.961 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -61.82 -177.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.049999999999997 110.885 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.9 ttt -143.9 114.31 7.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 62.399999999999999 110.845 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -173.45 163.64 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 51.43 110.865 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.88 131.69 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.349999999999994 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.542 ' CB ' HD21 ' A' ' 11' ' ' LEU . 2.5 p90 -58.05 -175.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 63.030000000000001 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.09 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.340000000000003 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.58 76.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.808 -0.711 . . . . 73.519999999999996 112.536 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -111.0 -52.16 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 71.319999999999993 110.88 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -98.49 10.6 40.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 73.200000000000003 110.875 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.41 66.97 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 42.32 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.2 t80 179.19 144.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 51.350000000000001 110.898 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 21.5 0.13 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.771 -0.728 . . . . 74.209999999999994 112.543 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.68 119.49 6.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 75.230000000000004 110.909 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -48.42 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 110.895 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 53.109999999999999 110.926 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.37 -94.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 73.349999999999994 112.497 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -31.09 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 70.109999999999999 111.198 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.13 152.0 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.040000000000006 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.863 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.4 t -176.11 174.46 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.439999999999998 111.189 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -51.45 -29.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 73.129999999999995 111.168 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.595 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 mt-30 -65.74 -72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 62.149999999999999 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.863 ' HD3' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -60.87 -18.13 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.929 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -81.9 -40.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -65.15 -14.7 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.137 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -57.18 -25.24 58.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 74.420000000000002 110.86 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -100.68 -19.68 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 55.020000000000003 110.938 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.68 -34.61 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 74.030000000000001 111.173 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -105.32 16.42 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.439999999999998 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -97.04 -30.68 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.209999999999994 110.961 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -91.68 -12.85 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 71.420000000000002 110.841 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.55 -43.34 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 111.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t0 51.82 60.5 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.230000000000004 110.887 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.9 -74.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.39 169.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 73.510000000000005 110.853 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -78.03 163.61 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -117.74 49.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 65.019999999999996 110.83 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.13 27.59 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.9 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.08 145.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.349999999999994 111.15 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -149.01 159.81 36.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 72.310000000000002 111.11 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.0 Cg_endo -69.69 -25.11 29.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 43.439999999999998 112.366 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -79.11 -37.01 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.329999999999998 110.843 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.5 p -59.71 129.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 54.200000000000003 110.847 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -151.89 130.38 12.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 110.918 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.05 162.15 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 73.400000000000006 111.124 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -143.41 68.62 17.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 74.219999999999999 110.847 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -6.52 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 63.340000000000003 112.272 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -95.43 -24.3 16.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.409999999999997 110.881 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.9 91.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 44.219999999999999 112.4 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -88.18 49.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 119.379 -0.344 . . . . 74.400000000000006 110.901 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 11.210000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.5 t80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.902 0.382 . . . . 75.530000000000001 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -149.31 176.21 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 74.450000000000003 110.827 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -134.47 169.38 17.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.4 t -78.38 156.5 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 71.019999999999996 110.824 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.8 mmt -148.79 159.35 44.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -134.75 150.87 50.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 70.299999999999997 110.945 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.0 102.96 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.319999999999993 110.991 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -175.28 -175.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.420000000000002 110.887 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.65 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.310000000000002 110.863 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.39 84.15 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.645 -0.788 . . . . 44.140000000000001 112.412 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -120.03 -49.4 2.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 73.219999999999999 110.884 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG3' HD12 ' A' ' 11' ' ' LEU . 31.2 mtt180 -98.06 1.78 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.409999999999997 110.856 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -58.44 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.866 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 3.8 t80 -179.34 142.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 61.100000000000001 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . 177.43 27.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 45.539999999999999 112.532 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.24 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 61.420000000000002 110.916 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.37 -61.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.240000000000002 110.842 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -155.63 142.61 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 61.340000000000003 110.945 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.9 91.91 2.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 65.439999999999998 112.504 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p 59.83 18.32 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 71.200000000000003 111.11 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.6 t -179.17 109.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 60.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 24' ' ' GLN . 15.3 t -171.77 179.54 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 52.450000000000003 111.138 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.9 m -55.79 -30.48 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 54.450000000000003 111.194 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.646 ' H ' HG23 ' A' ' 22' ' ' THR . 6.6 mt-30 -69.7 -42.21 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 110.864 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -79.46 -22.87 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 65.25 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -84.11 -39.21 19.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.150000000000006 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -62.72 -16.08 55.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 65.25 111.101 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.5 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -101.86 -16.81 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -57.87 -32.29 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.437 ' HA ' HG23 ' A' ' 34' ' ' THR . 28.2 p90 -107.01 15.39 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.239999999999995 110.873 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.11 -33.5 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -87.37 -8.55 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.829 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -122.95 -60.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.340000000000003 111.104 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 50.52 56.05 8.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.95 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.07 164.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 72.349999999999994 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.41 128.33 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.894 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 147.86 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.925 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.97 -24.22 51.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 54.229999999999997 110.877 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -131.41 73.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 110.854 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.4 p -122.38 144.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 63.130000000000003 111.144 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -82.22 160.42 62.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.534 0.683 . . . . 60.439999999999998 111.129 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.7 Cg_endo -69.84 -30.01 22.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.26 . . . . 73.319999999999993 112.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -45.24 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 62.200000000000003 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -52.13 150.94 4.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 63.109999999999999 110.86 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -51.91 125.05 14.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 62.520000000000003 110.894 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.21 161.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.230000000000004 111.126 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.9 p -140.12 68.4 34.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 62.140000000000001 110.833 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -42.33 3.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 73.329999999999998 112.377 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.29 25.09 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 74.409999999999997 110.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.56 45.49 1.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 50.130000000000003 112.421 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.22 26.76 10.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 119.381 -0.342 . . . . 73.109999999999999 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 63.43 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.85 0.357 . . . . 72.049999999999997 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -159.09 141.29 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 110.867 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.13 -112.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 51.219999999999999 112.451 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.0 p -114.81 21.24 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 61.43 111.15 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 p -160.67 52.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.219999999999999 110.894 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.759 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.5 t -121.09 179.38 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 63.109999999999999 111.196 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 m -50.86 -31.66 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.030000000000001 111.103 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.759 ' H ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -69.23 -46.38 67.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 73.219999999999999 110.856 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.28 -23.51 59.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.120000000000005 110.929 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -83.37 -42.45 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 72.209999999999994 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.26 -19.05 42.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 111.095 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -28.37 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.809 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.91 -21.32 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.9 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.38 -34.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.340000000000003 111.145 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -105.5 16.72 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 74.209999999999994 110.928 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -97.74 -30.8 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.510000000000005 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -91.55 -12.7 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.922 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 -42.92 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 111.145 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.861 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.847 0.356 . . . . 70.120000000000005 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -150.58 151.75 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 70.010000000000005 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.89 -103.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 45.030000000000001 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -121.49 -5.82 9.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.325 . . . . 71.519999999999996 111.101 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.16 51.75 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 30.129999999999999 110.885 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 24' ' ' GLN . 10.6 t -118.27 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.039999999999999 111.113 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -50.44 -31.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.130000000000003 111.182 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.734 ' H ' HG23 ' A' ' 22' ' ' THR . 1.4 mt-30 -70.03 -38.07 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.5 110.919 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -83.86 -18.72 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.219999999999999 110.803 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.72 -45.62 9.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.914 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -19.78 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.540000000000006 111.136 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -52.43 -27.66 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -101.34 -20.06 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 110.929 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.71 -32.81 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 63.340000000000003 111.198 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -106.55 17.66 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.409999999999997 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -98.95 -29.33 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 71.120000000000005 110.853 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.84 -15.09 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.852 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -120.94 -43.03 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 61.140000000000001 111.122 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.230000000000004 110.862 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.865 0.364 . . . . 64.099999999999994 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.618 ' CE2' HG21 ' A' ' 22' ' ' THR . 12.3 m-85 -147.15 -179.56 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.340000000000003 110.961 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 -77.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 53.020000000000003 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -116.63 -20.64 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 62.030000000000001 111.133 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 p -145.68 137.26 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.019999999999996 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.785 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.9 t -175.8 178.19 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 74.120000000000005 111.202 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -51.66 -30.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 111.095 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.744 ' H ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -68.81 -45.5 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 73.420000000000002 110.948 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.785 ' HD3' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -76.75 -23.16 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.836 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -83.0 -40.26 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 75.030000000000001 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.2 -18.34 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.230000000000004 111.073 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -28.13 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -99.77 -21.58 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 70.400000000000006 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.14 -35.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 54.409999999999997 111.101 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -104.69 18.46 22.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.908 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -100.2 -29.3 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -93.3 -12.41 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 -34.98 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 63.219999999999999 111.087 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 62.100000000000001 110.818 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.341 . . . . 74.0 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -132.65 145.43 51.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.819 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.66 -110.75 1.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 72.329999999999998 112.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -58.59 -32.44 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 22.43 111.197 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -150.89 146.75 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 65.329999999999998 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -176.38 177.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 111.194 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.22 -32.01 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 111.112 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.689 ' H ' HG23 ' A' ' 22' ' ' THR . 2.2 mt-30 -68.72 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.230000000000004 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.3 mptp? -52.47 -29.82 26.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 73.329999999999998 110.884 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -78.32 -50.86 11.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.92 33.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 74.549999999999997 111.106 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -28.3 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 75.450000000000003 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 -20.54 15.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 110.915 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.2 -33.09 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 75.200000000000003 111.2 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.446 ' HA ' HG23 ' A' ' 34' ' ' THR . 30.8 p90 -106.99 16.14 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.430000000000007 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -96.49 -31.38 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.19 -8.01 52.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 75.439999999999998 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -123.52 -67.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 63.240000000000002 111.106 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 70.140000000000001 110.888 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.845 0.355 . . . . 72.319999999999993 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -159.57 136.1 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.420000000000002 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' C ' HG23 ' A' ' 20' ' ' THR . . . 114.08 98.17 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 53.43 112.52 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.456 HG23 ' C ' ' A' ' 19' ' ' GLY . 1.2 p 64.88 12.16 7.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 71.400000000000006 111.196 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 p 176.69 120.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.5 t -177.59 177.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 64.120000000000005 111.113 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -51.43 -31.24 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 63.200000000000003 111.133 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.739 ' H ' HG23 ' A' ' 22' ' ' THR . 3.4 mt-30 -69.25 -62.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 45.229999999999997 110.906 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.678 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.5 mptp? -55.46 -27.25 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.846 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.5 tp -81.23 -46.74 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.519999999999996 110.948 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.81 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.046 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -54.13 -26.6 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 73.239999999999995 110.849 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.14 -20.5 15.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 75.239999999999995 110.872 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.58 -32.91 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -106.85 19.39 20.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.230000000000004 110.926 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -101.41 -30.12 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.340000000000003 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -91.41 -17.1 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -118.25 -40.32 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.148 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.939 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.902 0.382 . . . . 74.030000000000001 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -133.19 154.04 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.030000000000001 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.89 -105.79 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 71.540000000000006 112.475 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.7 p -91.64 14.46 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 71.319999999999993 111.146 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -175.22 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 60.130000000000003 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.742 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.9 t -176.05 177.43 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 35.530000000000001 111.166 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 m -51.27 -29.97 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 111.132 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.742 ' H ' HG23 ' A' ' 22' ' ' THR . 2.7 mt-30 -72.6 -37.73 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 73.030000000000001 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.6 mptp? -86.56 -9.65 55.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.12 -36.78 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.71 -14.17 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 111.152 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -50.36 -29.32 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.85 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -103.12 -17.78 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -56.27 -31.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -107.65 14.25 25.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 75.129999999999995 110.938 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.15 -34.28 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 72.120000000000005 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -86.31 -11.35 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.4 -59.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 62.200000000000003 111.11 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 65.219999999999999 110.925 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.368 . . . . 75.519999999999996 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.673 ' CE1' HG21 ' A' ' 22' ' ' THR . 10.3 m-85 -160.45 -179.98 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 110.862 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 -71.49 0.71 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 54.329999999999998 112.447 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -113.64 1.4 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 73.219999999999999 111.18 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -179.17 153.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.210000000000001 110.929 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.673 HG21 ' CE1' ' A' ' 18' ' ' PHE . 14.7 t -177.12 177.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.010000000000005 111.176 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 m -50.1 -31.64 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 51.020000000000003 111.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.644 ' H ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -71.47 -62.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 63.130000000000003 110.916 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -55.29 -26.03 37.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.873 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.54 -47.63 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.55 38.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 71.420000000000002 111.06 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.22 -28.27 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.340000000000003 110.84 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -100.18 -20.8 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.881 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.89 -33.72 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -106.34 16.7 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -97.58 -32.37 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 75.239999999999995 110.958 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -89.25 -14.66 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -122.59 -44.98 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 111.193 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 110.834 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.916 0.389 . . . . 75.329999999999998 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -158.88 162.16 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.51 -112.14 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 61.210000000000001 112.496 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -59.1 -53.26 60.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 74.450000000000003 111.096 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 p -127.82 142.23 51.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 71.019999999999996 110.884 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.749 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.9 t -175.8 178.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 63.549999999999997 111.156 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.19 -31.65 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 61.100000000000001 111.117 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.749 ' H ' HG23 ' A' ' 22' ' ' THR . 1.3 mt-30 -70.2 -63.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 64.319999999999993 110.926 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -54.62 -27.63 40.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 73.340000000000003 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 tp -83.34 -38.94 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.03 -15.34 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 73.010000000000005 111.047 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -29.99 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 75.200000000000003 110.845 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -100.59 -19.59 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.019999999999996 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -53.89 -32.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 72.049999999999997 111.111 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -106.38 16.52 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.319999999999993 110.873 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -98.67 -31.18 12.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 43.119999999999997 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -93.91 -17.92 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.853 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 t -131.03 -42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 111.185 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 70.319999999999993 110.868 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.876 0.37 . . . . 71.120000000000005 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -161.88 148.22 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.87 -115.07 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 62.409999999999997 112.493 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.4 p -103.02 -18.29 15.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 73.230000000000004 111.117 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -127.42 71.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.219999999999999 110.897 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -125.89 -178.09 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 41.109999999999999 111.166 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.23 -31.29 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 63.25 111.167 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.712 ' H ' HG23 ' A' ' 22' ' ' THR . 3.1 mt-30 -66.53 -59.99 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.864 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -56.77 -24.54 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 72.409999999999997 110.844 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.72 -57.52 3.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.439999999999998 110.941 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.66 -24.3 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 111.084 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -51.8 -28.06 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 110.817 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.99 -19.08 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 60.329999999999998 110.874 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.05 -31.86 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.209999999999994 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -107.12 16.53 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.915 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -97.46 -30.85 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 62.420000000000002 110.914 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -91.07 -15.35 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 70.439999999999998 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -118.53 -44.45 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 111.137 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 63.420000000000002 110.849 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 73.439999999999998 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -155.3 148.35 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.909 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.3 91.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 74.049999999999997 112.519 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p 56.68 20.93 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 63.140000000000001 111.1 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 t -178.75 106.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 63.100000000000001 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.782 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.7 t -176.07 -179.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 111.155 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -50.97 -30.64 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.299999999999997 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.782 ' H ' HG23 ' A' ' 22' ' ' THR . 2.0 mt-30 -69.85 -52.33 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.9 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.679 ' CD ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -68.55 -24.67 64.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 62.229999999999997 110.956 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 tp -81.96 -44.41 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.43 110.952 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.52 44.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 111.06 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.6 -27.11 24.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.349999999999994 110.833 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -100.87 -20.19 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.942 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.37 -34.14 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 111.156 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -105.68 16.09 25.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.91 -31.7 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.527 . . . . 63.329999999999998 110.906 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -90.41 -14.36 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.91 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -122.81 -46.91 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 71.439999999999998 111.188 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.89 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.84 0.352 . . . . 62.130000000000003 110.829 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.668 ' CE2' HG21 ' A' ' 22' ' ' THR . 10.7 m-85 -149.24 177.41 9.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.109999999999999 110.875 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.33 -60.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 72.019999999999996 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -115.31 -33.92 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 62.509999999999998 111.131 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -144.78 143.3 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 72.349999999999994 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.775 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.2 t -176.6 178.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 111.202 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.15 -30.82 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.430000000000007 111.127 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.731 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 mt-30 -68.28 -44.07 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 71.150000000000006 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.775 ' HD3' HG22 ' A' ' 22' ' ' THR . 11.2 mptt -78.35 -23.76 46.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 63.5 110.862 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.0 tp -81.71 -44.06 17.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.72 42.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.075 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -53.91 -26.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.109999999999999 110.849 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.85 -19.62 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.010000000000005 110.846 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.02 -32.86 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 111.077 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -106.34 17.13 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.917 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -98.26 -29.05 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 53.509999999999998 110.945 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -93.25 -15.02 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -121.65 -43.03 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.127 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.049999999999997 110.876 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 74.299999999999997 110.827 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' HG21 ' A' ' 22' ' ' THR . 30.1 m-85 -157.73 149.87 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.540000000000006 110.849 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 93.65 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.757 . . . . 61.140000000000001 112.453 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 p 51.81 25.78 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 70.319999999999993 111.107 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -177.47 90.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 45.240000000000002 110.884 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.771 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.5 t -173.88 179.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 74.200000000000003 111.13 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -51.22 -30.82 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.119 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.771 ' H ' HG23 ' A' ' 22' ' ' THR . 2.1 mt-30 -70.52 -46.37 63.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 110.848 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -74.69 -21.15 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.549999999999997 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -86.64 -41.22 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 73.409999999999997 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.6 45.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -28.58 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 73.420000000000002 110.941 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.1 -21.67 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 110.937 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.28 -32.19 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 72.439999999999998 111.162 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.72 20.52 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.001 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -103.24 -32.12 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 74.349999999999994 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -89.03 -19.0 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 63.210000000000001 110.86 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -135.82 -40.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 54.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.3 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 55.109999999999999 110.812 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.782 0.325 . . . . 64.409999999999997 110.876 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -165.07 107.95 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.885 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.514 ' C ' HG23 ' A' ' 20' ' ' THR . . . 151.05 93.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.769 . . . . 45.200000000000003 112.436 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.514 HG23 ' C ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER 64.38 11.77 6.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 72.420000000000002 111.181 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 p 177.62 108.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 62.530000000000001 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.6 t -158.07 177.58 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 62.350000000000001 111.148 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -50.67 -31.72 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 74.349999999999994 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.688 ' H ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -70.3 -64.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.951 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -53.53 -28.2 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.340000000000003 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -82.22 -41.38 20.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 54.310000000000002 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.5 -15.72 58.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 53.340000000000003 111.108 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -25.97 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.829 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.66 -20.14 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 75.540000000000006 110.949 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.28 -33.95 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.439999999999998 111.199 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -106.12 16.6 24.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -97.46 -30.65 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 64.340000000000003 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -91.38 -13.0 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -121.53 -43.35 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.439999999999998 111.171 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.857 179.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.815 0.34 . . . . 74.140000000000001 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.666 ' CD1' HG21 ' A' ' 22' ' ' THR . 6.3 m-85 -153.5 168.22 26.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.230000000000004 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.99 -86.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 20.140000000000001 112.514 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 p -106.87 -24.2 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 54.109999999999999 111.231 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -140.53 129.89 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -175.54 177.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.109 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -50.4 -31.23 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.349999999999994 111.192 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.73 ' H ' HG23 ' A' ' 22' ' ' THR . 0.4 OUTLIER -70.56 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 110.926 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -53.57 -27.95 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.239999999999995 110.879 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.09 -42.62 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.26 -15.92 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.510000000000005 111.086 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -55.8 -25.56 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.350000000000001 110.771 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.44 -19.83 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.310000000000002 110.887 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -53.79 -33.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 65.329999999999998 111.154 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -106.17 17.42 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 110.954 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -99.19 -30.0 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 73.530000000000001 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -95.13 -17.02 22.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 110.827 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 t -130.38 -42.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 111.18 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.6 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 110.764 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.887 0.375 . . . . 75.329999999999998 110.928 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 3.0 m-85 -173.29 115.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -106.11 0.59 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 60.020000000000003 112.476 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.0 t -104.49 29.15 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 111.16 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -179.76 66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.2 t -133.7 -176.41 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 111.167 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.22 -30.48 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 63.039999999999999 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.699 ' H ' HG23 ' A' ' 22' ' ' THR . 4.7 mt-30 -68.87 -34.89 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 53.43 110.909 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 22' ' ' THR . 1.8 mptp? -88.66 -24.24 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.59 -39.05 22.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 110.943 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -62.17 -16.63 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 61.439999999999998 111.158 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -55.41 -25.67 37.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.866 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.81 -19.48 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.150000000000006 110.938 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.01 -32.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 61.109999999999999 111.085 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -106.7 16.5 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 110.899 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -97.51 -29.71 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.49 -15.65 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.319999999999993 110.886 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -121.33 -42.96 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 111.175 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 52.310000000000002 110.861 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.782 0.325 . . . . 74.0 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.692 ' CE1' HG21 ' A' ' 22' ' ' THR . 5.2 m-85 -153.16 166.11 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.923 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.1 -63.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 51.43 112.437 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -32.11 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 71.040000000000006 111.159 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -150.18 142.16 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.109999999999999 110.878 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.799 HG22 ' HD3' ' A' ' 25' ' ' LYS . 12.9 t -176.02 177.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 71.450000000000003 111.182 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 m -52.56 -30.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 71.319999999999993 111.129 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.735 ' H ' HG23 ' A' ' 22' ' ' THR . 3.2 mt-30 -71.88 -34.24 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 110.9 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.799 ' HD3' HG22 ' A' ' 22' ' ' THR . 13.7 mptt -91.36 -8.66 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.96 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.5 tp -100.69 -36.69 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 64.129999999999995 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.87 -14.05 50.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.400000000000006 111.167 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -50.54 -29.2 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 63.340000000000003 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -103.32 -17.12 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.109999999999999 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -56.79 -33.5 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.299999999999997 111.143 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -105.55 14.53 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -95.4 -32.02 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.986 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -89.98 -12.89 37.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 73.329999999999998 110.879 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.77 -45.21 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 71.349999999999994 111.126 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.1 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.519999999999996 110.912 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.847 0.356 . . . . 73.540000000000006 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HD1' HG21 ' A' ' 22' ' ' THR . 10.5 m-85 -147.51 163.09 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.349999999999994 110.895 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 -116.04 2.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 43.229999999999997 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.4 p -80.14 -26.83 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 64.530000000000001 111.154 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -133.52 125.42 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 51.310000000000002 110.837 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.6 t -172.38 177.87 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 62.32 111.188 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.23 -31.47 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 111.152 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.739 ' H ' HG23 ' A' ' 22' ' ' THR . 1.3 mt-30 -69.18 -42.16 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 110.856 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -79.81 -21.17 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 55.219999999999999 110.871 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.83 -38.78 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.519999999999996 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -59.85 -18.09 41.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.149 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -24.01 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.833 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -12.7 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 64.049999999999997 110.881 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -53.38 -29.28 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 111.065 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -112.65 17.83 18.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 64.519999999999996 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -103.85 -25.33 13.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 62.420000000000002 110.882 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -102.19 -14.36 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 63.119999999999997 110.868 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -137.04 -40.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 72.140000000000001 111.108 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.0 t0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.822 0.344 . . . . 75.010000000000005 110.805 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -160.67 157.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.18 -100.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 61.210000000000001 112.498 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.444 HG23 ' SG ' ' A' ' 21' ' ' CYS . 4.9 t -80.71 -32.79 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 62.049999999999997 111.182 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' A' ' 20' ' ' THR . 3.9 p -146.19 152.5 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.748 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.3 t -175.13 179.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.540000000000006 111.113 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.94 -30.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.748 ' H ' HG23 ' A' ' 22' ' ' THR . 2.9 mt-30 -69.21 -51.07 41.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.949 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.708 ' CD ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -70.58 -24.62 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.009999999999998 110.96 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 tp -81.22 -44.8 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.040000000000006 110.875 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.78 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 62.520000000000003 111.16 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.43 -26.97 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 72.329999999999998 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.26 -20.39 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 44.240000000000002 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.75 -32.31 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.32 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.46 ' HA ' HG23 ' A' ' 34' ' ' THR . 30.1 p90 -107.47 15.73 24.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.93 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -96.02 -30.93 13.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 72.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.58 -8.4 50.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.299999999999997 110.927 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -122.9 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 73.409999999999997 111.123 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.409999999999997 110.859 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 71.310000000000002 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 53.109999999999999 110.926 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.37 -94.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 73.349999999999994 112.497 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -31.09 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 70.109999999999999 111.198 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.13 152.0 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.040000000000006 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.863 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.4 t -176.11 174.46 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.439999999999998 111.189 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -51.45 -29.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 73.129999999999995 111.168 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.595 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 mt-30 -65.74 -72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 62.149999999999999 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.863 ' HD3' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -60.87 -18.13 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.929 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -81.9 -40.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -65.15 -14.7 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.137 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -57.18 -25.24 58.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 74.420000000000002 110.86 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -100.68 -19.68 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 55.020000000000003 110.938 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.68 -34.61 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 74.030000000000001 111.173 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -105.32 16.42 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.439999999999998 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -97.04 -30.68 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.209999999999994 110.961 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -91.68 -12.85 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 71.420000000000002 110.841 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.55 -43.34 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 111.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.230000000000004 110.887 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.868 0.366 . . . . 62.240000000000002 110.842 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -155.63 142.61 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 61.340000000000003 110.945 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.9 91.91 2.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 65.439999999999998 112.504 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p 59.83 18.32 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 71.200000000000003 111.11 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.6 t -179.17 109.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 60.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 24' ' ' GLN . 15.3 t -171.77 179.54 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 52.450000000000003 111.138 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.9 m -55.79 -30.48 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 54.450000000000003 111.194 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.646 ' H ' HG23 ' A' ' 22' ' ' THR . 6.6 mt-30 -69.7 -42.21 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 110.864 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -79.46 -22.87 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 65.25 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -84.11 -39.21 19.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.150000000000006 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -62.72 -16.08 55.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 65.25 111.101 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.5 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -101.86 -16.81 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -57.87 -32.29 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.437 ' HA ' HG23 ' A' ' 34' ' ' THR . 28.2 p90 -107.01 15.39 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.239999999999995 110.873 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.11 -33.5 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -87.37 -8.55 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.829 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -122.95 -60.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.340000000000003 111.104 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.95 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.893 0.377 . . . . 74.450000000000003 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.0 164.2 29.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 61.299999999999997 110.856 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.79 -170.23 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.926 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 160.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 72.200000000000003 110.86 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ptm -99.34 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.510000000000005 110.884 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -169.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 62.439999999999998 110.871 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -175.62 133.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 63.25 110.836 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CB ' HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -179.8 -176.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 61.439999999999998 110.883 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -45.29 80.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.430000000000007 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.98 74.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 64.420000000000002 112.398 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -109.66 -51.06 2.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.778 0.323 . . . . 53.130000000000003 110.892 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -103.45 17.32 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 74.109999999999999 110.842 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.96 37.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 72.319999999999993 110.857 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.0 t80 179.89 149.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.439999999999998 110.858 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.5 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -170.0 -32.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 71.430000000000007 112.474 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.67 133.26 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 60.409999999999997 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -34.73 68.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.049999999999997 110.914 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -159.09 141.29 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 110.867 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.13 -112.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 51.219999999999999 112.451 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.0 p -114.81 21.24 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 61.43 111.15 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 p -160.67 52.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.219999999999999 110.894 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.759 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.5 t -121.09 179.38 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 63.109999999999999 111.196 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 m -50.86 -31.66 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.030000000000001 111.103 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.759 ' H ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -69.23 -46.38 67.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 73.219999999999999 110.856 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.28 -23.51 59.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.120000000000005 110.929 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -83.37 -42.45 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 72.209999999999994 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.26 -19.05 42.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 111.095 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -28.37 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.809 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.91 -21.32 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.9 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.38 -34.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.340000000000003 111.145 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -105.5 16.72 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 74.209999999999994 110.928 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -97.74 -30.8 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.510000000000005 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -91.55 -12.7 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.922 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 -42.92 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 111.145 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 51.9 50.68 18.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.861 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -39.38 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.150000000000006 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.35 167.51 10.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 72.439999999999998 110.874 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -152.27 147.83 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 72.409999999999997 110.927 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -133.32 41.3 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.882 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.26 51.44 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.209999999999994 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 p -160.9 145.16 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 111.112 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -149.47 159.86 35.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.626 0.727 . . . . 63.240000000000002 111.067 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.9 Cg_endo -69.79 -29.7 23.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.275 . . . . 73.140000000000001 112.319 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -39.24 37.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 61.439999999999998 110.854 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -64.04 -42.08 97.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 51.130000000000003 110.857 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -68.88 -72.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 72.349999999999994 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -107.46 161.56 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 64.430000000000007 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.3 t -141.87 73.12 23.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 73.530000000000001 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -22.15 32.54 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.754 2.302 . . . . 71.310000000000002 112.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 60.63 49.55 6.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 73.030000000000001 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 76.81 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 53.210000000000001 112.559 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -117.24 19.04 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.409 -0.329 . . . . 73.049999999999997 110.944 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 44.210000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.895 0.379 . . . . 74.120000000000005 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.83 -46.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 70.239999999999995 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -52.28 -54.48 30.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.929 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t -164.53 155.41 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 64.019999999999996 110.889 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.6 150.83 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 72.409999999999997 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -169.13 154.84 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 71.150000000000006 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -138.02 39.03 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.32 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -162.66 -176.86 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.922 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -56.6 -47.27 79.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 64.319999999999993 110.916 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.75 39.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 33.219999999999999 112.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.663 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -64.3 -55.84 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 73.040000000000006 110.92 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.663 ' HG3' HD12 ' A' ' 11' ' ' LEU . 2.2 mtt-85 -98.95 25.9 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 75.049999999999997 110.905 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.6 34.3 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.120000000000005 110.876 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.0 t80 -179.95 149.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 64.420000000000002 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.5 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -169.43 -32.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 64.530000000000001 112.506 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.87 135.66 53.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 61.119999999999997 110.901 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -47.54 79.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 70.120000000000005 110.85 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -150.58 151.75 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 70.010000000000005 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.89 -103.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 45.030000000000001 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -121.49 -5.82 9.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.325 . . . . 71.519999999999996 111.101 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.16 51.75 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 30.129999999999999 110.885 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 24' ' ' GLN . 10.6 t -118.27 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.039999999999999 111.113 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -50.44 -31.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.130000000000003 111.182 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.734 ' H ' HG23 ' A' ' 22' ' ' THR . 1.4 mt-30 -70.03 -38.07 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.5 110.919 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -83.86 -18.72 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.219999999999999 110.803 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.72 -45.62 9.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.914 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -19.78 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.540000000000006 111.136 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -52.43 -27.66 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -101.34 -20.06 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 110.929 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.71 -32.81 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 63.340000000000003 111.198 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -106.55 17.66 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.409999999999997 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -98.95 -29.33 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 71.120000000000005 110.853 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.84 -15.09 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.852 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -120.94 -43.03 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 61.140000000000001 111.122 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t0 56.72 61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.230000000000004 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.37 -41.75 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 62.149999999999999 110.884 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -52.11 167.68 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 71.099999999999994 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' HD2' HG12 ' A' ' 41' ' ' VAL . 8.0 tptt -53.85 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 64.219999999999999 110.892 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 55.69 49.16 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.200000000000003 110.836 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 51.08 46.29 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.120000000000005 110.859 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG12 ' HD2' ' A' ' 38' ' ' LYS . 6.7 p -84.38 143.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.239999999999995 111.101 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -74.69 160.24 81.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.607 0.717 . . . . 51.329999999999998 111.045 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.1 Cg_endo -69.68 -42.14 3.76 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.66 2.24 . . . . 70.219999999999999 112.363 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -31.82 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 72.010000000000005 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -106.84 57.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 61.119999999999997 110.856 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -114.86 67.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 71.510000000000005 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -139.73 162.17 26.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 60.329999999999998 111.146 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -150.71 73.22 8.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 53.409999999999997 110.883 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.28 37.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 62.420000000000002 112.364 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 60.39 83.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.549999999999997 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.23 102.86 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 74.109999999999999 112.473 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -85.76 160.92 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 119.329 -0.367 . . . . 74.510000000000005 111.021 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 20.02 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 64.409999999999997 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -144.02 -70.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 72.450000000000003 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -52.58 159.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 169.77 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 53.329999999999998 110.912 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.2 tpp -157.01 121.54 4.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.109999999999999 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -175.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 64.329999999999998 110.89 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.75 129.72 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 70.129999999999995 110.895 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.507 ' CB ' HD21 ' A' ' 11' ' ' LEU . 2.1 p90 -57.22 -177.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 72.120000000000005 110.955 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -67.65 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 110.935 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.91 75.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 73.340000000000003 112.427 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -110.08 -49.83 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 72.239999999999995 110.883 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.597 ' HG3' HD12 ' A' ' 11' ' ' LEU . 22.3 mtm180 -101.0 14.07 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.450000000000003 110.842 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.82 57.81 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.439999999999998 110.839 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.4 t80 -179.8 149.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 74.120000000000005 110.855 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.518 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -171.52 -31.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 71.140000000000001 112.546 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.4 p -113.41 121.62 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 64.120000000000005 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 64.099999999999994 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.618 ' CE2' HG21 ' A' ' 22' ' ' THR . 12.3 m-85 -147.15 -179.56 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.340000000000003 110.961 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 -77.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 53.020000000000003 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -116.63 -20.64 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 62.030000000000001 111.133 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 p -145.68 137.26 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.019999999999996 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.785 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.9 t -175.8 178.19 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 74.120000000000005 111.202 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -51.66 -30.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 111.095 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.744 ' H ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -68.81 -45.5 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 73.420000000000002 110.948 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.785 ' HD3' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -76.75 -23.16 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.836 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -83.0 -40.26 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 75.030000000000001 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.2 -18.34 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.230000000000004 111.073 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -28.13 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -99.77 -21.58 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 70.400000000000006 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.14 -35.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 54.409999999999997 111.101 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -104.69 18.46 22.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.908 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -100.2 -29.3 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -93.3 -12.41 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 -34.98 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 63.219999999999999 111.087 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.98 59.11 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 62.100000000000001 110.818 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.21 -36.59 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 63.100000000000001 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.45 26.15 14.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 73.530000000000001 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 71.430000000000007 110.859 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.71 -31.19 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 74.019999999999996 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.66 91.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.868 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -95.24 142.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 111.116 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -128.16 157.65 73.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 63.420000000000002 111.028 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.9 Cg_endo -69.69 -38.99 7.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 74.230000000000004 112.381 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -48.38 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.210000000000001 110.886 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t 52.15 39.19 26.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 71.230000000000004 110.831 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -134.0 91.13 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.926 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 161.64 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 72.129999999999995 111.074 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -143.01 68.08 17.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 74.25 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.61 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.696 2.264 . . . . 73.319999999999993 112.332 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.96 22.89 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 71.439999999999998 110.89 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.02 60.69 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 62.100000000000001 112.48 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -119.6 179.44 4.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 119.32 -0.371 . . . . 74.329999999999998 110.984 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 75.409999999999997 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 -42.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 110.831 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.36 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 63.310000000000002 110.946 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.97 175.56 9.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 72.329999999999998 110.824 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.4 mmt -101.27 -69.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 60.399999999999999 110.826 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -161.27 154.87 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.030000000000001 110.937 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -57.59 -37.76 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.938 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.574 ' CB ' HD21 ' A' ' 11' ' ' LEU . 3.8 p90 -149.58 -175.21 4.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.863 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -72.75 -67.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 70.420000000000002 110.93 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 41.240000000000002 112.514 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -113.92 -48.95 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 72.109999999999999 110.937 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -98.5 7.21 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.340000000000003 110.845 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -74.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.120000000000005 110.803 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.2 t80 179.25 144.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 64.109999999999999 110.882 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.92 21.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 52.450000000000003 112.473 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' SG ' HG23 ' A' ' 20' ' ' THR . 0.6 OUTLIER -148.47 120.12 8.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 72.239999999999995 110.826 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -64.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 74.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -132.65 145.43 51.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.819 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.66 -110.75 1.53 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 72.329999999999998 112.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 HG23 ' SG ' ' A' ' 16' ' ' CYS . 1.8 t -58.59 -32.44 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 22.43 111.197 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -150.89 146.75 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 65.329999999999998 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -176.38 177.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 111.194 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.22 -32.01 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 111.112 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.689 ' H ' HG23 ' A' ' 22' ' ' THR . 2.2 mt-30 -68.72 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.230000000000004 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.3 mptp? -52.47 -29.82 26.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 73.329999999999998 110.884 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -78.32 -50.86 11.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.92 33.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 74.549999999999997 111.106 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -28.3 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 75.450000000000003 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 -20.54 15.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 110.915 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.2 -33.09 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 75.200000000000003 111.2 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' HA ' HG23 ' A' ' 34' ' ' THR . 30.8 p90 -106.99 16.14 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.430000000000007 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -96.49 -31.38 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.19 -8.01 52.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 75.439999999999998 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -123.52 -67.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 63.240000000000002 111.106 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 51.6 88.51 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 70.140000000000001 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -103.91 146.16 29.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 73.109999999999999 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -135.08 -170.03 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.040000000000006 110.871 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 171.33 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 71.049999999999997 110.893 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -92.46 46.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -115.77 26.1 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 71.439999999999998 110.845 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 p -142.61 145.04 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 60.43 111.094 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -148.54 159.9 37.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.724 . . . . 65.310000000000002 111.069 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.2 Cg_endo -69.65 -16.73 38.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.732 2.288 . . . . 74.340000000000003 112.394 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -26.86 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 110.88 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -77.37 -34.58 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.140000000000001 110.887 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -75.16 -65.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.944 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.25 161.57 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.4 p -128.32 68.58 77.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 73.409999999999997 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -6.87 19.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 64.340000000000003 112.358 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -50.12 -44.95 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.140000000000001 110.859 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.37 102.84 1.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 54.329999999999998 112.463 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -89.46 175.09 7.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 119.365 -0.35 . . . . 74.319999999999993 110.989 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 30.309999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.902 0.382 . . . . 65.099999999999994 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.83 160.38 34.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 75.25 110.87 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -117.34 -179.6 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 72.099999999999994 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -176.26 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 70.049999999999997 110.889 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 39.0 mtt -110.56 122.41 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 73.439999999999998 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -146.97 -175.15 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 75.109999999999999 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -179.77 143.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 71.319999999999993 110.902 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.508 ' CB ' HD21 ' A' ' 11' ' ' LEU . 1.9 p90 -57.57 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.510000000000005 110.885 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.09 -59.56 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.310000000000002 110.961 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.11 75.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.721 . . . . 73.299999999999997 112.506 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -111.03 -49.87 2.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 74.129999999999995 110.871 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' HG3' HD12 ' A' ' 11' ' ' LEU . 84.2 mtt-85 -101.7 13.86 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 73.540000000000006 110.918 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.37 57.1 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 63.140000000000001 110.836 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.6 t80 179.37 143.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.349999999999994 110.835 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.22 21.97 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.745 . . . . 70.540000000000006 112.528 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.36 135.74 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 75.25 110.932 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 110.888 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -159.57 136.1 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.420000000000002 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' C ' HG23 ' A' ' 20' ' ' THR . . . 114.08 98.17 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 53.43 112.52 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.456 HG23 ' C ' ' A' ' 19' ' ' GLY . 1.2 p 64.88 12.16 7.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 71.400000000000006 111.196 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 p 176.69 120.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.5 t -177.59 177.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 64.120000000000005 111.113 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 m -51.43 -31.24 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 63.200000000000003 111.133 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.739 ' H ' HG23 ' A' ' 22' ' ' THR . 3.4 mt-30 -69.25 -62.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 45.229999999999997 110.906 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.678 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.5 mptp? -55.46 -27.25 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.846 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.5 tp -81.23 -46.74 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.519999999999996 110.948 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.81 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.046 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -54.13 -26.6 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 73.239999999999995 110.849 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.14 -20.5 15.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 75.239999999999995 110.872 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.58 -32.91 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -106.85 19.39 20.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.230000000000004 110.926 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -101.41 -30.12 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.340000000000003 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -91.41 -17.1 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -118.25 -40.32 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.148 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 57.75 59.47 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.939 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -76.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 62.299999999999997 110.851 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.68 149.59 46.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.266 -0.425 . . . . 64.420000000000002 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -152.58 148.16 27.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.010000000000005 110.876 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -136.13 36.94 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 63.119999999999997 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -86.58 52.64 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 71.510000000000005 110.896 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.37 138.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 61.229999999999997 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -119.67 157.98 50.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 51.340000000000003 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.8 Cg_endo -69.76 -39.64 6.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 62.140000000000001 112.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -55.09 -27.05 42.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 74.109999999999999 110.891 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -96.02 178.44 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 61.119999999999997 110.874 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -52.08 115.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.049999999999997 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 43' ' ' PRO . 4.0 mt -101.24 162.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 63.310000000000002 111.158 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.6 p -147.67 72.5 11.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.743 . . . . 64.409999999999997 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -40.55 5.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.244 . . . . 72.120000000000005 112.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 60.37 99.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 64.049999999999997 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.25 102.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 75.219999999999999 112.496 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.92 143.54 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 119.335 -0.364 . . . . 73.420000000000002 110.983 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 55.549999999999997 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.893 0.378 . . . . 73.409999999999997 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -71.95 151.59 43.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 71.299999999999997 110.821 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -164.27 167.35 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 62.350000000000001 110.886 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -112.3 170.93 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 24.43 110.924 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -28.49 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 55.549999999999997 110.899 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -140.42 157.06 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 75.319999999999993 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -64.55 -74.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 72.319999999999993 110.878 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.524 ' CB ' HD21 ' A' ' 11' ' ' LEU . 2.3 p90 -132.75 -175.63 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.299999999999997 110.923 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.72 -58.57 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.902 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.27 78.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 73.540000000000006 112.464 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -113.03 -48.89 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 72.530000000000001 110.912 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG3' HD12 ' A' ' 11' ' ' LEU . 61.6 mtt-85 -98.33 8.95 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.867 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.01 -50.45 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 110.796 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.1 t80 179.93 149.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.219999999999999 110.883 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -167.56 -32.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 53.43 112.456 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -113.5 141.57 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 62.340000000000003 110.855 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -67.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.030000000000001 110.928 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -133.19 154.04 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.030000000000001 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.89 -105.79 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 71.540000000000006 112.475 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.7 p -91.64 14.46 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 71.319999999999993 111.146 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -175.22 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 60.130000000000003 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.742 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.9 t -176.05 177.43 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 35.530000000000001 111.166 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 m -51.27 -29.97 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 111.132 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.742 ' H ' HG23 ' A' ' 22' ' ' THR . 2.7 mt-30 -72.6 -37.73 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 73.030000000000001 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' HG22 ' A' ' 22' ' ' THR . 4.6 mptp? -86.56 -9.65 55.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.12 -36.78 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.71 -14.17 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 111.152 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -50.36 -29.32 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.85 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -103.12 -17.78 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -56.27 -31.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -107.65 14.25 25.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 75.129999999999995 110.938 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.15 -34.28 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 72.120000000000005 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -86.31 -11.35 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.4 -59.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 62.200000000000003 111.11 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t0 63.97 27.39 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 65.219999999999999 110.925 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.95 179.14 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 64.140000000000001 110.946 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -94.02 69.26 3.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 61.030000000000001 110.837 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -57.67 168.28 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 74.349999999999994 110.816 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.15 24.96 9.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 73.549999999999997 110.857 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.04 63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 70.010000000000005 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.0 t -118.16 142.22 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 111.074 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -125.39 158.24 64.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 71.099999999999994 111.12 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.4 Cg_endo -69.77 -45.64 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 74.109999999999999 112.293 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.39 -38.72 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 71.450000000000003 110.879 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.3 m -81.15 157.02 25.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 110.839 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.09 126.59 19.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 75.510000000000005 110.925 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -102.18 161.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 73.519999999999996 111.161 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.9 p -139.68 73.6 34.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 71.310000000000002 110.815 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -30.16 23.0 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.755 2.304 . . . . 43.240000000000002 112.347 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' NE2' ' H ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -74.67 -26.02 59.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 110.907 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.15 80.38 0.6 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 74.219999999999999 112.442 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -76.18 91.01 3.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 119.41 -0.328 . . . . 72.019999999999996 110.915 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 54.520000000000003 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.841 0.353 . . . . 71.510000000000005 110.842 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -93.02 130.67 38.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 54.240000000000002 110.789 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -129.85 149.87 51.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -5.48 51.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 71.109999999999999 110.819 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.5 mtt -126.84 114.41 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 73.329999999999998 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -131.65 133.74 45.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 62.25 110.885 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.6 100.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.904 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.466 ' CG ' HD21 ' A' ' 11' ' ' LEU . 2.9 p90 -171.28 175.43 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.230000000000004 110.832 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -58.7 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 70.120000000000005 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.48 84.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 61.509999999999998 112.513 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -119.03 -48.66 2.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.791 0.329 . . . . 60.219999999999999 110.908 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.64 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.9 mtp85 -98.91 9.83 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 62.329999999999998 110.847 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.77 60.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 74.219999999999999 110.908 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 60.6 t80 -147.99 -77.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 73.409999999999997 110.93 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 99.97 -80.91 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.655 -0.783 . . . . 65.129999999999995 112.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.02 176.19 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 65.430000000000007 110.905 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -55.67 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.519999999999996 110.944 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.673 ' CE1' HG21 ' A' ' 22' ' ' THR . 10.3 m-85 -160.45 -179.98 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 110.862 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 -71.49 0.71 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 54.329999999999998 112.447 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -113.64 1.4 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 73.219999999999999 111.18 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -179.17 153.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.210000000000001 110.929 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.673 HG21 ' CE1' ' A' ' 18' ' ' PHE . 14.7 t -177.12 177.55 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.010000000000005 111.176 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 m -50.1 -31.64 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 51.020000000000003 111.08 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.644 ' H ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -71.47 -62.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 63.130000000000003 110.916 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -55.29 -26.03 37.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.873 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.54 -47.63 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.55 38.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 71.420000000000002 111.06 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.22 -28.27 17.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.340000000000003 110.84 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -100.18 -20.8 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.881 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.89 -33.72 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -106.34 16.7 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -97.58 -32.37 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 75.239999999999995 110.958 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -89.25 -14.66 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -122.59 -44.98 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 111.193 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 52.97 89.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -101.55 -31.26 10.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -30.04 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.862 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -94.28 -24.88 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.874 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 58.08 25.12 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 110.824 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.1 57.21 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 62.109999999999999 110.869 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -113.26 140.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.019999999999996 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -130.46 157.78 76.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 45.539999999999999 111.105 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.6 Cg_endo -69.73 -32.22 19.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 70.319999999999993 112.352 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -86.7 -41.76 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 53.229999999999997 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -63.38 173.75 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 65.540000000000006 110.82 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -94.91 139.66 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 73.340000000000003 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -85.85 162.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 63.43 111.138 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.8 p -142.66 69.06 20.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 74.310000000000002 110.845 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -15.97 37.37 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 51.409999999999997 112.361 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -52.1 -30.11 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.87 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.87 100.76 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 73.200000000000003 112.488 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.24 130.2 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 119.355 -0.355 . . . . 55.43 110.943 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 11.31 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.868 0.366 . . . . 70.329999999999998 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.09 131.8 38.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 73.209999999999994 110.895 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -124.94 172.85 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.319999999999993 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.39 -4.42 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.866 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 ttt -106.21 150.85 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 73.140000000000001 110.884 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.37 153.89 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 52.049999999999997 110.879 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.83 107.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.512 ' CB ' HD21 ' A' ' 11' ' ' LEU . 2.2 p90 -178.14 -175.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 50.43 110.914 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -70.45 -57.85 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 74.430000000000007 110.844 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.35 78.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.714 -0.755 . . . . 75.140000000000001 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -112.95 -48.7 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 73.329999999999998 110.88 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG3' HD12 ' A' ' 11' ' ' LEU . 19.6 mtp85 -98.45 10.21 41.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.823 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -32.62 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 63.229999999999997 110.834 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.5 t80 179.51 144.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 62.109999999999999 110.943 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.21 21.48 0.15 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.400000000000006 112.512 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 p -127.39 93.23 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 42.420000000000002 110.881 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -47.53 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.892 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -158.88 162.16 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.51 -112.14 2.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 61.210000000000001 112.496 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -59.1 -53.26 60.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 74.450000000000003 111.096 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 p -127.82 142.23 51.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 71.019999999999996 110.884 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.749 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.9 t -175.8 178.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 63.549999999999997 111.156 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.19 -31.65 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 61.100000000000001 111.117 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.749 ' H ' HG23 ' A' ' 22' ' ' THR . 1.3 mt-30 -70.2 -63.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 64.319999999999993 110.926 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -54.62 -27.63 40.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 73.340000000000003 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 tp -83.34 -38.94 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.03 -15.34 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 73.010000000000005 111.047 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -29.99 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 75.200000000000003 110.845 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -100.59 -19.59 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.019999999999996 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -53.89 -32.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 72.049999999999997 111.111 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -106.38 16.52 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.319999999999993 110.873 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -98.67 -31.18 12.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 43.119999999999997 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -93.91 -17.92 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.853 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 t -131.03 -42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 111.185 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 61.4 65.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 70.319999999999993 110.868 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -58.97 163.79 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.984 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -178.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.450000000000003 110.844 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -127.83 -174.45 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.35 65.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.519999999999996 110.837 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 58.02 35.98 25.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.88 145.12 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 63.229999999999997 111.134 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -149.24 159.83 36.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 72.340000000000003 111.079 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.8 Cg_endo -69.71 -25.93 28.34 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.269 . . . . 73.340000000000003 112.373 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -83.04 -29.16 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 110.859 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -52.08 159.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 71.430000000000007 110.906 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.59 -179.9 3.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -130.46 162.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 75.420000000000002 111.154 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -126.86 75.95 75.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.731 0.777 . . . . 74.349999999999994 110.825 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.811 2.34 . . . . 74.340000000000003 112.265 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.45 5.95 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 73.010000000000005 110.862 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.3 -5.88 68.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 63.109999999999999 112.507 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.1 178.24 7.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 119.42 -0.324 . . . . 75.299999999999997 110.933 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 61.140000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.815 0.341 . . . . 71.420000000000002 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 174.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 65.420000000000002 110.798 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -178.41 172.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 63.420000000000002 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 t -162.49 163.6 27.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 64.109999999999999 110.772 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.3 mtt -90.91 -74.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 74.129999999999995 110.84 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.98 179.57 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 64.150000000000006 110.925 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -155.23 37.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 32.450000000000003 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CB ' HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -154.76 -175.54 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 64.340000000000003 110.914 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -69.23 -44.52 71.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.019999999999996 110.951 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.74 78.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 54.240000000000002 112.509 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -113.35 -47.28 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 73.420000000000002 110.891 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -93.14 6.22 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 110.891 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -46.02 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 71.239999999999995 110.89 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 38.9 t80 -76.94 -74.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 55.509999999999998 110.801 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.483 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 75.23 -65.21 2.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 51.210000000000001 112.467 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.53 163.99 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 53.530000000000001 110.851 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -36.9 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 71.120000000000005 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -161.88 148.22 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.87 -115.07 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 62.409999999999997 112.493 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.4 p -103.02 -18.29 15.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 73.230000000000004 111.117 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -127.42 71.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.219999999999999 110.897 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -125.89 -178.09 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 41.109999999999999 111.166 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.23 -31.29 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 63.25 111.167 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.712 ' H ' HG23 ' A' ' 22' ' ' THR . 3.1 mt-30 -66.53 -59.99 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.864 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -56.77 -24.54 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 72.409999999999997 110.844 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.72 -57.52 3.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.439999999999998 110.941 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.66 -24.3 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 111.084 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -51.8 -28.06 14.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 110.817 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.99 -19.08 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 60.329999999999998 110.874 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.05 -31.86 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.209999999999994 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -107.12 16.53 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.915 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -97.46 -30.85 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 62.420000000000002 110.914 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -91.07 -15.35 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 70.439999999999998 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -118.53 -44.45 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 111.137 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.8 t70 59.01 97.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 63.420000000000002 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.16 -71.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.340000000000003 110.909 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.97 137.75 26.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.832 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 139.16 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.120000000000005 110.936 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -58.23 -50.94 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 64.439999999999998 110.895 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.57 32.18 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 p -92.04 147.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 111.123 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -74.45 160.43 81.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.629 0.728 . . . . 73.409999999999997 111.09 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 52.7 Cg_endo -69.83 -36.95 9.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 65.409999999999997 112.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.54 -26.43 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 110.897 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.91 104.54 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 72.340000000000003 110.822 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -117.35 31.68 6.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -112.59 162.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 111.118 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t -160.14 74.18 2.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 63.350000000000001 110.782 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 73.099999999999994 112.286 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 65.14 67.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.409999999999997 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.8 28.58 25.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 51.420000000000002 112.497 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -133.46 134.12 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.382 -0.342 . . . . 73.400000000000006 110.897 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 10.529999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.898 0.38 . . . . 73.219999999999999 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -161.6 148.53 14.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 75.120000000000005 110.82 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.465 ' NE2' HE21 ' A' ' 32' ' ' GLN . 6.9 mt-30 -162.02 175.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 51.520000000000003 110.917 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 t -134.34 178.74 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.310000000000002 110.896 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.4 mtt -124.03 149.14 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 110.853 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -108.58 -178.92 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.200000000000003 110.92 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -115.23 -33.01 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 110.916 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.445 ' CG ' HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -143.8 -177.25 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.885 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -57.31 -47.56 81.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.219999999999999 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.26 37.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 64.319999999999993 112.491 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD21 ' CG ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -61.47 -66.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 75.219999999999999 110.952 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -84.68 -30.55 24.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.140000000000001 110.867 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.54 ' OG ' HD21 ' A' ' 26' ' ' LEU . 16.0 t 46.22 35.18 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.32 110.824 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 6.3 t80 -179.69 149.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 110.873 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.512 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -172.13 -31.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.718 . . . . 51.109999999999999 112.517 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 123.47 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 73.030000000000001 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -63.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -155.3 148.35 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.909 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.3 91.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 74.049999999999997 112.519 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p 56.68 20.93 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 63.140000000000001 111.1 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 t -178.75 106.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 63.100000000000001 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.782 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.7 t -176.07 -179.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 111.155 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -50.97 -30.64 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.299999999999997 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.782 ' H ' HG23 ' A' ' 22' ' ' THR . 2.0 mt-30 -69.85 -52.33 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.9 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.679 ' CD ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -68.55 -24.67 64.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 62.229999999999997 110.956 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD21 ' OG ' ' A' ' 13' ' ' SER . 24.2 tp -81.96 -44.41 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.43 110.952 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.52 44.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 111.06 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.6 -27.11 24.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.349999999999994 110.833 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -100.87 -20.19 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.942 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.37 -34.14 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 111.156 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -105.68 16.09 25.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.465 HE21 ' NE2' ' A' ' 3' ' ' GLN . 7.7 mm100 -96.91 -31.7 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.527 . . . . 63.329999999999998 110.906 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -90.41 -14.36 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.91 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.403 HG21 ' HE2' ' A' ' 36' ' ' LYS . 1.6 t -122.81 -46.91 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 71.439999999999998 111.188 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t0 57.15 63.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE2' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.38 -41.85 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.450000000000003 110.907 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.14 -177.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.878 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -50.99 150.34 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.42 46.48 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.86 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -86.0 53.32 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.4 t -100.93 142.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 65.430000000000007 111.153 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -121.94 158.26 55.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 64.540000000000006 111.138 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.3 Cg_endo -69.75 -39.92 5.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 74.519999999999996 112.339 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -57.56 -25.52 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 110.916 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.2 m -120.13 29.93 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.827 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.55 133.01 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 52.210000000000001 110.891 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -96.16 161.69 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 55.020000000000003 111.113 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 m -148.77 70.46 10.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.689 0.757 . . . . 73.25 110.875 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.01 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 64.310000000000002 112.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 58.85 20.36 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 75.25 111.007 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.39 54.6 0.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.693 -0.765 . . . . 52.299999999999997 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -101.32 150.15 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.38 -0.343 . . . . 73.120000000000005 110.968 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 62.32 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.906 0.384 . . . . 75.5 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -176.51 86.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -153.02 163.76 39.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.94 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.74 -173.94 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 53.210000000000001 110.879 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 46.1 mtt -111.19 -51.9 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 62.399999999999999 110.901 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.32 160.92 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 71.329999999999998 110.871 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -169.21 138.03 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 61.009999999999998 110.915 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.445 ' CG ' HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -55.6 179.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.903 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -54.24 -48.27 71.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.400000000000006 110.944 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.13 37.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.319999999999993 112.491 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD12 ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -61.28 -67.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 72.420000000000002 110.895 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.784 ' HG2' HD12 ' A' ' 11' ' ' LEU . 27.9 mmm180 -84.18 -30.93 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.140000000000001 110.895 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t 46.69 34.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.510000000000005 110.891 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.3 t80 179.33 144.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 72.230000000000004 110.907 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.57 22.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 73.409999999999997 112.466 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' HG23 ' A' ' 20' ' ' THR . 0.8 OUTLIER -152.89 134.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 54.140000000000001 110.888 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -59.05 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 62.130000000000003 110.829 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.668 ' CE2' HG21 ' A' ' 22' ' ' THR . 10.7 m-85 -149.24 177.41 9.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.109999999999999 110.875 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.33 -60.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 72.019999999999996 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' SG ' ' A' ' 16' ' ' CYS . 1.1 t -115.31 -33.92 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 62.509999999999998 111.131 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -144.78 143.3 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 72.349999999999994 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.775 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.2 t -176.6 178.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 111.202 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.15 -30.82 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.430000000000007 111.127 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.731 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 mt-30 -68.28 -44.07 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 71.150000000000006 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.775 ' HD3' HG22 ' A' ' 22' ' ' THR . 11.2 mptt -78.35 -23.76 46.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 63.5 110.862 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.0 tp -81.71 -44.06 17.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.72 42.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.075 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -53.91 -26.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.109999999999999 110.849 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.85 -19.62 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.010000000000005 110.846 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.02 -32.86 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 111.077 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -106.34 17.13 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.917 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -98.26 -29.05 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 53.509999999999998 110.945 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -93.25 -15.02 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -121.65 -43.03 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.127 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 54.57 82.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.049999999999997 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -92.74 -64.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 70.209999999999994 110.959 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.36 178.87 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.881 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.93 141.11 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 63.049999999999997 110.906 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -122.65 56.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.89 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -134.26 28.69 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.839 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.29 142.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 111.084 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -127.55 158.09 70.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 71.25 111.055 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.5 Cg_endo -69.73 -20.39 35.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.679 2.252 . . . . 61.409999999999997 112.376 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -77.49 -35.62 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.109999999999999 110.876 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -80.3 -45.99 16.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 73.019999999999996 110.845 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.06 -176.66 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 73.540000000000006 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.56 161.97 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 51.140000000000001 111.103 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -143.87 73.26 16.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.748 . . . . 71.230000000000004 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -16.93 37.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.75 2.3 . . . . 73.510000000000005 112.3 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -52.06 -36.29 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 71.349999999999994 110.937 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.28 97.74 2.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 61.509999999999998 112.512 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -87.66 118.01 26.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.352 -0.356 . . . . 73.310000000000002 110.942 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 74.349999999999994 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.912 0.387 . . . . 75.019999999999996 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -36.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 71.409999999999997 110.913 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -59.9 169.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 43.450000000000003 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t -103.41 159.78 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.923 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 mtm -110.42 -62.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.109999999999999 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.84 163.23 26.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 50.32 110.821 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.83 126.38 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 71.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -179.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.039999999999999 110.936 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -54.95 -48.25 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.871 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.03 39.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 63.100000000000001 112.53 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.674 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -63.51 -56.03 19.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.430000000000007 110.913 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.674 ' HG3' HD12 ' A' ' 11' ' ' LEU . 89.2 mtt180 -96.85 23.27 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 63.539999999999999 110.821 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.63 71.49 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.409999999999997 110.885 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 1.9 t80 179.0 144.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 64.25 110.935 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.62 19.71 0.12 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.694 -0.765 . . . . 73.310000000000002 112.452 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 116.58 9.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 62.340000000000003 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -57.65 -52.9 63.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.827 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' HG21 ' A' ' 22' ' ' THR . 30.1 m-85 -157.73 149.87 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.540000000000006 110.849 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 93.65 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.757 . . . . 61.140000000000001 112.453 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 p 51.81 25.78 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 70.319999999999993 111.107 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -177.47 90.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 45.240000000000002 110.884 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.771 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.5 t -173.88 179.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 74.200000000000003 111.13 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -51.22 -30.82 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.119 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.771 ' H ' HG23 ' A' ' 22' ' ' THR . 2.1 mt-30 -70.52 -46.37 63.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 110.848 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -74.69 -21.15 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.549999999999997 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.7 tp -86.64 -41.22 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 73.409999999999997 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.6 45.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -28.58 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 73.420000000000002 110.941 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.1 -21.67 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 110.937 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.28 -32.19 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 72.439999999999998 111.162 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.72 20.52 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.001 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -103.24 -32.12 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 74.349999999999994 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -89.03 -19.0 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 63.210000000000001 110.86 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -135.82 -40.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 54.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.3 t0 64.71 59.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 55.109999999999999 110.812 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -29.14 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.530000000000001 110.837 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.53 -177.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 74.25 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -51.32 156.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.430000000000007 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.7 61.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.409999999999997 110.907 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 51.55 37.15 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.409999999999997 110.886 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.02 144.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 61.240000000000002 111.134 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -76.3 160.47 77.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.546 0.688 . . . . 71.530000000000001 111.123 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.3 Cg_endo -69.72 -20.38 35.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 63.130000000000003 112.345 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.57 -35.0 40.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -40.96 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 71.140000000000001 110.86 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -130.93 142.44 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 65.430000000000007 110.854 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -89.18 161.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 75.120000000000005 111.12 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t -153.05 73.31 7.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 72.129999999999995 110.897 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -30.59 21.83 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 64.340000000000003 112.345 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 60.21 98.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 74.120000000000005 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 97.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 73.530000000000001 112.528 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -64.74 162.29 16.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.359 -0.353 . . . . 75.200000000000003 110.889 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 20.32 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.351 . . . . 65.5 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -67.19 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 74.349999999999994 110.827 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.73 179.93 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 110.848 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.12 152.34 36.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 110.834 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmm -148.16 149.3 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 74.109999999999999 110.932 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.79 125.35 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 74.540000000000006 110.902 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -115.51 -25.42 7.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 72.239999999999995 110.932 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.487 ' CB ' HD21 ' A' ' 11' ' ' LEU . 1.2 p90 -113.6 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 71.120000000000005 110.929 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -67.86 -51.05 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.39 74.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 71.030000000000001 112.526 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -110.06 -51.04 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 71.109999999999999 110.924 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HG3' HD12 ' A' ' 11' ' ' LEU . 18.4 mtp180 -96.67 10.96 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 63.420000000000002 110.904 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -76.56 66.62 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.549999999999997 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.0 t80 178.87 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 74.239999999999995 110.827 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.57 21.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 62.210000000000001 112.519 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.1 p -152.7 109.11 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 71.439999999999998 110.837 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.0 -28.95 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 64.409999999999997 110.876 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -165.07 107.95 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.885 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.514 ' C ' HG23 ' A' ' 20' ' ' THR . . . 151.05 93.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.769 . . . . 45.200000000000003 112.436 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.514 HG23 ' C ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER 64.38 11.77 6.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 72.420000000000002 111.181 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 p 177.62 108.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 62.530000000000001 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.6 t -158.07 177.58 11.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 62.350000000000001 111.148 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -50.67 -31.72 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 74.349999999999994 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.688 ' H ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -70.3 -64.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.951 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -53.53 -28.2 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.340000000000003 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -82.22 -41.38 20.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 54.310000000000002 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.5 -15.72 58.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 53.340000000000003 111.108 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -25.97 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.829 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.66 -20.14 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 75.540000000000006 110.949 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.28 -33.95 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.439999999999998 111.199 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -106.12 16.6 24.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -97.46 -30.65 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 64.340000000000003 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -91.38 -13.0 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 t -121.53 -43.35 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.439999999999998 111.171 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.7 t0 55.81 69.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.857 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -65.99 -34.97 79.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 74.510000000000005 110.843 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -176.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 72.319999999999993 110.914 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 135.93 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 70.299999999999997 110.919 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -127.04 33.36 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 73.340000000000003 110.803 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.8 53.64 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.319999999999993 110.954 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.77 140.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 43.310000000000002 111.167 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -121.52 158.24 54.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.533 0.683 . . . . 72.329999999999998 111.09 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.6 Cg_endo -69.78 -23.44 30.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.601 2.2 . . . . 75.209999999999994 112.337 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.94 41.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.450000000000003 110.803 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 t -97.52 129.09 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 61.329999999999998 110.921 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.72 ' O ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.22 90.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 74.430000000000007 110.894 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 46' ' ' LYS . 5.6 mm -127.02 162.36 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 62.130000000000003 111.128 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -148.48 72.26 10.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 72.120000000000005 110.802 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.8 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.737 2.291 . . . . 74.310000000000002 112.304 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -38.29 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 74.450000000000003 110.811 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.07 47.86 3.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 74.219999999999999 112.502 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -147.88 173.4 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 119.387 -0.34 . . . . 72.519999999999996 110.975 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 65.010000000000005 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 74.329999999999998 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.26 177.63 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.150000000000006 110.861 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -135.61 -178.38 5.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.901 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -101.64 165.95 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 53.5 110.894 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.9 ptp -127.12 155.69 42.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 74.019999999999996 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.14 161.44 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 65.5 110.867 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -121.22 -34.75 3.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CG ' HD21 ' A' ' 11' ' ' LEU . 4.3 p90 -111.66 -174.91 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 70.349999999999994 110.853 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.65 -71.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 63.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.89 30.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.744 -0.741 . . . . 54.549999999999997 112.471 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD21 ' CG ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -51.52 -67.14 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 71.0 110.87 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -94.08 31.31 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.209999999999994 110.918 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.5 p -76.63 66.78 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 54.030000000000001 110.881 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.2 t80 179.24 144.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.310000000000002 110.884 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.67 21.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 73.310000000000002 112.492 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -146.18 118.39 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 43.329999999999998 110.889 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -60.74 3.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 74.140000000000001 110.859 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.666 ' CD1' HG21 ' A' ' 22' ' ' THR . 6.3 m-85 -153.5 168.22 26.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.230000000000004 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.99 -86.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 20.140000000000001 112.514 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 p -106.87 -24.2 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 54.109999999999999 111.231 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -140.53 129.89 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 24' ' ' GLN . 13.4 t -175.54 177.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.109 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -50.4 -31.23 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.349999999999994 111.192 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.73 ' H ' HG23 ' A' ' 22' ' ' THR . 0.4 OUTLIER -70.56 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 110.926 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -53.57 -27.95 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.239999999999995 110.879 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.09 -42.62 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.26 -15.92 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.510000000000005 111.086 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -55.8 -25.56 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.350000000000001 110.771 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.44 -19.83 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.310000000000002 110.887 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -53.79 -33.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 65.329999999999998 111.154 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -106.17 17.42 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 110.954 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -99.19 -30.0 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 73.530000000000001 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -95.13 -17.02 22.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 110.827 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 t -130.38 -42.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 111.18 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.6 t0 61.02 74.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 110.764 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -72.86 172.72 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.99 36.09 17.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.540000000000006 110.872 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -67.08 155.08 39.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.030000000000001 110.92 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -137.32 72.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 110.792 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 56.37 73.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 71.049999999999997 110.877 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -145.82 142.55 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 71.209999999999994 111.126 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.541 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -127.02 158.17 69.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 75.019999999999996 111.154 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.3 Cg_endo -69.81 -35.46 12.47 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.702 2.268 . . . . 64.230000000000004 112.267 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -92.04 -46.18 7.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 71.409999999999997 110.874 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.541 ' OG ' ' HB3' ' A' ' 42' ' ' ALA . 10.0 p -87.8 144.64 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 55.100000000000001 110.896 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -127.27 27.67 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.109999999999999 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -104.55 161.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 65.129999999999995 111.199 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.3 p -145.04 68.07 13.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 73.409999999999997 110.826 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 54.420000000000002 112.337 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -77.22 -52.7 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.200000000000003 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.57 -0.53 73.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.714 -0.755 . . . . 53.109999999999999 112.489 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.98 164.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 119.388 -0.339 . . . . 52.439999999999998 110.875 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 25.309999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.939 0.399 . . . . 73.409999999999997 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 169.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 61.439999999999998 110.903 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -173.18 173.56 3.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 75.019999999999996 110.902 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.29 170.17 13.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 72.409999999999997 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -108.13 -17.72 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.329999999999998 110.914 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -160.29 -179.32 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 64.319999999999993 110.866 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.99 133.46 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.888 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.437 ' CG ' HD21 ' A' ' 11' ' ' LEU . 2.8 p90 -58.36 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 75.040000000000006 110.92 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -63.37 -67.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 71.209999999999994 110.895 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.25 33.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 73.010000000000005 112.453 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -58.04 -56.36 22.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 73.420000000000002 110.926 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.762 ' HG3' HD12 ' A' ' 11' ' ' LEU . 24.1 mtt85 -100.99 19.84 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 73.230000000000004 110.865 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -24.84 49.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 53.219999999999999 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 9.0 t80 -176.62 148.9 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 110.883 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.552 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . 176.36 -26.15 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.711 -0.757 . . . . 64.430000000000007 112.42 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.1 p -106.84 -31.71 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 71.439999999999998 110.867 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 75.39 -4.58 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.928 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 3.0 m-85 -173.29 115.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -106.11 0.59 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 60.020000000000003 112.476 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.0 t -104.49 29.15 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 111.16 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -179.76 66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.2 t -133.7 -176.41 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 111.167 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.22 -30.48 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 63.039999999999999 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.699 ' H ' HG23 ' A' ' 22' ' ' THR . 4.7 mt-30 -68.87 -34.89 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 53.43 110.909 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 22' ' ' THR . 1.8 mptp? -88.66 -24.24 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.59 -39.05 22.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 110.943 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -62.17 -16.63 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 61.439999999999998 111.158 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -55.41 -25.67 37.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.866 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.81 -19.48 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.150000000000006 110.938 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.01 -32.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 61.109999999999999 111.085 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -106.7 16.5 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 110.899 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -97.51 -29.71 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -92.49 -15.65 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.319999999999993 110.886 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -121.33 -42.96 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 111.175 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 52.08 53.36 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 52.310000000000002 110.861 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -57.53 179.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 75.299999999999997 110.809 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.06 81.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -66.14 149.86 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 53.520000000000003 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.12 49.12 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.804 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 59.82 36.38 22.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 63.439999999999998 110.825 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 p -70.42 144.03 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.430000000000007 111.111 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -81.38 160.2 65.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.491 0.663 . . . . 74.230000000000004 111.195 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.8 Cg_endo -69.77 -39.29 6.67 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 73.040000000000006 112.368 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -56.57 -24.66 48.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -51.84 123.12 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 63.109999999999999 110.804 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' O ' HD13 ' A' ' 47' ' ' ILE . 1.9 tptm -85.19 132.74 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.865 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 46' ' ' LYS . 5.5 mm -120.7 162.32 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 62.399999999999999 111.129 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.05 69.54 9.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.703 0.763 . . . . 54.439999999999998 110.85 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.35 36.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 73.409999999999997 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -51.93 -37.03 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 62.329999999999998 110.95 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 100.4 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 63.32 112.509 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -100.31 170.67 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.372 -0.347 . . . . 71.239999999999995 110.924 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 20.23 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.948 0.404 . . . . 74.430000000000007 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.11 28.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 72.439999999999998 110.861 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -110.37 167.5 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.89 169.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.450000000000003 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.41 137.45 1.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 70.140000000000001 110.855 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.3 -171.29 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.200000000000003 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -148.72 123.2 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 64.329999999999998 110.857 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.521 ' CG ' HD21 ' A' ' 11' ' ' LEU . 4.0 p90 -58.88 -174.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.928 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -64.47 -69.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.64 30.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 55.210000000000001 112.539 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD21 ' CG ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -51.38 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 70.230000000000004 110.91 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -85.52 -33.38 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.25 110.871 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 t 46.58 35.13 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 61.100000000000001 110.866 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.5 t80 179.35 144.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 73.219999999999999 110.836 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.76 22.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 54.420000000000002 112.481 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.76 133.42 13.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 73.319999999999993 110.876 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -51.68 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.692 ' CE1' HG21 ' A' ' 22' ' ' THR . 5.2 m-85 -153.16 166.11 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.923 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.1 -63.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 51.43 112.437 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -32.11 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 71.040000000000006 111.159 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -150.18 142.16 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.109999999999999 110.878 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.799 HG22 ' HD3' ' A' ' 25' ' ' LYS . 12.9 t -176.02 177.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 71.450000000000003 111.182 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 m -52.56 -30.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 71.319999999999993 111.129 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.735 ' H ' HG23 ' A' ' 22' ' ' THR . 3.2 mt-30 -71.88 -34.24 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 110.9 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.799 ' HD3' HG22 ' A' ' 22' ' ' THR . 13.7 mptt -91.36 -8.66 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.96 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.5 tp -100.69 -36.69 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 64.129999999999995 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -63.87 -14.05 50.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.400000000000006 111.167 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -50.54 -29.2 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 63.340000000000003 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -103.32 -17.12 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.109999999999999 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -56.79 -33.5 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.299999999999997 111.143 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -105.55 14.53 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -95.4 -32.02 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.986 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -89.98 -12.89 37.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 73.329999999999998 110.879 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.77 -45.21 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 71.349999999999994 111.126 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.1 t0 51.46 71.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.519999999999996 110.912 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -84.25 179.95 7.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 63.310000000000002 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.48 157.01 5.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 110.865 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -52.75 146.36 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -140.88 8.95 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 71.329999999999998 110.847 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.67 102.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.350000000000001 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.85 142.9 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.019999999999996 111.098 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -128.05 157.38 74.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 50.210000000000001 111.076 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.6 Cg_endo -69.8 -45.36 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.232 . . . . 70.099999999999994 112.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.68 -39.07 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 73.129999999999995 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -58.9 164.64 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -123.12 137.04 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 74.349999999999994 110.881 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.62 162.08 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 72.109999999999999 111.162 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -146.72 71.21 12.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 74.049999999999997 110.855 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -41.06 4.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 2.251 . . . . 55.329999999999998 112.351 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 61.84 56.48 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 70.549999999999997 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.88 80.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 60.119999999999997 112.512 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -119.08 137.81 53.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 119.364 -0.35 . . . . 75.010000000000005 110.922 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 14.32 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 74.310000000000002 110.941 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -82.31 -26.24 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 72.510000000000005 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -56.51 -38.69 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.010000000000005 110.9 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.63 -3.36 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.805 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.5 ttp -115.03 112.3 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.140000000000001 110.876 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.75 151.12 30.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 70.430000000000007 110.886 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.3 60.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 34.299999999999997 110.898 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.695 ' HB2' HD21 ' A' ' 11' ' ' LEU . 4.6 p90 -172.47 -174.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 73.409999999999997 110.902 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -76.41 -73.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.030000000000001 110.94 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.64 85.47 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 71.219999999999999 112.455 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -113.39 -51.85 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 61.520000000000003 110.853 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -115.23 7.23 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.915 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.41 59.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.530000000000001 110.895 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.2 t80 179.12 144.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 75.239999999999995 110.894 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.82 22.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 75.310000000000002 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 p -143.82 116.78 8.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 64.219999999999999 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -55.81 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 73.540000000000006 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HD1' HG21 ' A' ' 22' ' ' THR . 10.5 m-85 -147.51 163.09 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.349999999999994 110.895 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 -116.04 2.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 43.229999999999997 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.4 p -80.14 -26.83 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 64.530000000000001 111.154 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -133.52 125.42 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 51.310000000000002 110.837 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 24' ' ' GLN . 12.6 t -172.38 177.87 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 62.32 111.188 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.23 -31.47 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 111.152 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.739 ' H ' HG23 ' A' ' 22' ' ' THR . 1.3 mt-30 -69.18 -42.16 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 110.856 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -79.81 -21.17 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 55.219999999999999 110.871 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.83 -38.78 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 75.519999999999996 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -59.85 -18.09 41.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.149 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -24.01 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.833 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -12.7 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 64.049999999999997 110.881 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -53.38 -29.28 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 111.065 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -112.65 17.83 18.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 64.519999999999996 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -103.85 -25.33 13.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 62.420000000000002 110.882 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -102.19 -14.36 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 63.119999999999997 110.868 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -137.04 -40.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 72.140000000000001 111.108 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.0 t0 58.1 70.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 110.88 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.12 172.84 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 74.209999999999994 110.844 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.33 58.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 60.439999999999998 110.843 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -173.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.310000000000002 110.971 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.523 ' CG ' HG23 ' A' ' 41' ' ' VAL . 10.6 t0 -51.26 -69.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 75.019999999999996 110.88 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.25 39.55 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 50.340000000000003 110.932 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' CG ' ' A' ' 39' ' ' ASP . 95.3 t -87.99 143.24 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 63.409999999999997 111.144 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -128.38 157.37 74.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 52.340000000000003 111.124 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.3 Cg_endo -69.85 -22.56 31.48 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.701 2.267 . . . . 74.010000000000005 112.311 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.78 -26.33 54.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 63.119999999999997 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 p -113.93 117.53 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 60.32 110.861 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -111.35 74.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 70.150000000000006 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -141.0 160.65 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 53.299999999999997 111.202 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -166.7 72.2 1.1 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 75.140000000000001 110.798 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.669 2.246 . . . . 70.129999999999995 112.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.4 32.2 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 36.98 3.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 73.549999999999997 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -118.87 26.72 9.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.38 -0.343 . . . . 70.450000000000003 110.86 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 11.43 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 74.510000000000005 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.8 131.01 54.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 75.450000000000003 110.85 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.14 161.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.904 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -169.37 177.28 4.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 50.210000000000001 110.864 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 ptp -135.62 -171.65 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 55.399999999999999 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -127.06 150.92 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 70.040000000000006 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -114.4 -27.72 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.433 ' CG ' HD21 ' A' ' 11' ' ' LEU . 2.4 p90 -110.0 -175.37 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 62.409999999999997 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.47 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 52.200000000000003 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.0 34.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.716 . . . . 42.109999999999999 112.505 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -55.47 -57.36 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 71.519999999999996 110.976 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.759 ' HG2' HD12 ' A' ' 11' ' ' LEU . 1.8 mmt-85 -100.43 -10.26 21.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 65.150000000000006 110.84 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 t -51.75 -30.79 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 71.230000000000004 110.855 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CD2' ' N ' ' A' ' 15' ' ' GLY . 23.6 t80 -111.86 -77.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 55.229999999999997 110.882 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.551 ' N ' ' CD2' ' A' ' 14' ' ' PHE . . . 26.58 58.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 63.340000000000003 112.485 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.6 p -155.25 82.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 54.350000000000001 110.82 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -44.19 39.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.010000000000005 110.805 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -160.67 157.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.18 -100.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 61.210000000000001 112.498 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.444 HG23 ' SG ' ' A' ' 21' ' ' CYS . 4.9 t -80.71 -32.79 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 62.049999999999997 111.182 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' A' ' 20' ' ' THR . 3.9 p -146.19 152.5 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.748 HG23 ' H ' ' A' ' 24' ' ' GLN . 14.3 t -175.13 179.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.540000000000006 111.113 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.94 -30.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.748 ' H ' HG23 ' A' ' 22' ' ' THR . 2.9 mt-30 -69.21 -51.07 41.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.949 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.708 ' CD ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -70.58 -24.62 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.009999999999998 110.96 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 tp -81.22 -44.8 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.040000000000006 110.875 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.78 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 62.520000000000003 111.16 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -53.43 -26.97 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 72.329999999999998 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -101.26 -20.39 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 44.240000000000002 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.75 -32.31 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.32 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' HA ' HG23 ' A' ' 34' ' ' THR . 30.1 p90 -107.47 15.73 24.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.93 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -96.02 -30.93 13.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 72.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.58 -8.4 50.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.299999999999997 110.927 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -122.9 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 73.409999999999997 111.123 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 51.21 57.01 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.409999999999997 110.859 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -54.58 164.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 72.299999999999997 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 153.73 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.549999999999997 110.779 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.67 144.45 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.831 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -102.44 30.99 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 63.020000000000003 110.856 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -126.3 26.14 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.329999999999998 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.54 148.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 61.200000000000003 111.143 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -74.75 160.38 81.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.120000000000005 111.135 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.7 Cg_endo -69.81 -38.36 7.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 75.010000000000005 112.323 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -51.39 58.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.310000000000002 110.875 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -52.87 -44.04 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 62.140000000000001 110.908 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -77.35 129.6 36.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 73.230000000000004 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -124.85 162.1 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 55.340000000000003 111.15 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -154.14 73.4 6.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.671 0.748 . . . . 72.420000000000002 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.03 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.779 2.319 . . . . 73.129999999999995 112.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -61.3 -22.6 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.099999999999994 110.955 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.75 97.58 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 64.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -103.25 21.96 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 119.384 -0.341 . . . . 73.450000000000003 110.879 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 3.3300000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.916 0.388 . . . . 74.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -112.19 -65.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -145.72 -177.9 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 63.210000000000001 110.961 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -61.82 -177.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.049999999999997 110.885 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.9 ttt -143.9 114.31 7.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 62.399999999999999 110.845 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -173.45 163.64 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 51.43 110.865 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.88 131.69 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.349999999999994 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.542 ' CB ' HD21 ' A' ' 11' ' ' LEU . 2.5 p90 -58.05 -175.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 63.030000000000001 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.09 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.340000000000003 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.58 76.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.808 -0.711 . . . . 73.519999999999996 112.536 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD21 ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -111.0 -52.16 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 71.319999999999993 110.88 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -98.49 10.6 40.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 73.200000000000003 110.875 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.41 66.97 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 42.32 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 2.2 t80 179.19 144.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 51.350000000000001 110.898 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 21.5 0.13 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.771 -0.728 . . . . 74.209999999999994 112.543 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.68 119.49 6.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 75.230000000000004 110.909 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -48.42 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 110.895 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 53.109999999999999 110.926 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.37 -94.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 73.349999999999994 112.497 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -31.09 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 70.109999999999999 111.198 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.13 152.0 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.040000000000006 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.863 HG22 ' HD3' ' A' ' 25' ' ' LYS . 13.4 t -176.11 174.46 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.439999999999998 111.189 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -51.45 -29.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 73.129999999999995 111.168 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.595 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 mt-30 -65.74 -72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 62.149999999999999 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.863 ' HD3' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -60.87 -18.13 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.929 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -81.9 -40.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -65.15 -14.7 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.137 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -57.18 -25.24 58.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 74.420000000000002 110.86 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -100.68 -19.68 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 55.020000000000003 110.938 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.1 mp -54.68 -34.61 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 74.030000000000001 111.173 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -105.32 16.42 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.439999999999998 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -97.04 -30.68 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.209999999999994 110.961 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -91.68 -12.85 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 71.420000000000002 110.841 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -123.55 -43.34 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 111.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t0 51.82 60.5 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.230000000000004 110.887 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.9 -74.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.39 169.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 73.510000000000005 110.853 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -78.03 163.61 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -117.74 49.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 65.019999999999996 110.83 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.13 27.59 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.9 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.08 145.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 74.349999999999994 111.15 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -149.01 159.81 36.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 72.310000000000002 111.11 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 54.0 Cg_endo -69.69 -25.11 29.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 43.439999999999998 112.366 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -79.11 -37.01 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.329999999999998 110.843 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.5 p -59.71 129.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 54.200000000000003 110.847 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -151.89 130.38 12.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 110.918 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.05 162.15 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 73.400000000000006 111.124 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -143.41 68.62 17.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 74.219999999999999 110.847 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -6.52 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 63.340000000000003 112.272 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.412 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -95.43 -24.3 16.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.409999999999997 110.881 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.9 91.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 44.219999999999999 112.4 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -88.18 49.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 119.379 -0.344 . . . . 74.400000000000006 110.901 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 11.210000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.5 t80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.902 0.382 . . . . 75.530000000000001 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -149.31 176.21 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 74.450000000000003 110.827 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -134.47 169.38 17.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.4 t -78.38 156.5 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 71.019999999999996 110.824 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.8 mmt -148.79 159.35 44.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -134.75 150.87 50.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 70.299999999999997 110.945 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.0 102.96 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.319999999999993 110.991 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -175.28 -175.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.420000000000002 110.887 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.65 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.310000000000002 110.863 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.39 84.15 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.645 -0.788 . . . . 44.140000000000001 112.412 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD12 ' HG3' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -120.03 -49.4 2.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 73.219999999999999 110.884 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG3' HD12 ' A' ' 11' ' ' LEU . 31.2 mtt180 -98.06 1.78 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.409999999999997 110.856 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -58.44 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.866 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 3.8 t80 -179.34 142.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 61.100000000000001 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . 177.43 27.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 45.539999999999999 112.532 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.24 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 61.420000000000002 110.916 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.37 -61.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.240000000000002 110.842 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -155.63 142.61 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 61.340000000000003 110.945 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.9 91.91 2.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 65.439999999999998 112.504 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p 59.83 18.32 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 71.200000000000003 111.11 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.6 t -179.17 109.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 60.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 24' ' ' GLN . 15.3 t -171.77 179.54 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 52.450000000000003 111.138 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.9 m -55.79 -30.48 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 54.450000000000003 111.194 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.646 ' H ' HG23 ' A' ' 22' ' ' THR . 6.6 mt-30 -69.7 -42.21 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 110.864 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -79.46 -22.87 43.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 65.25 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -84.11 -39.21 19.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.150000000000006 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HA ' HD13 ' A' ' 30' ' ' ILE . . . -62.72 -16.08 55.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 65.25 111.101 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.5 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -101.86 -16.81 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 27' ' ' ALA . 1.2 mp -57.87 -32.29 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.437 ' HA ' HG23 ' A' ' 34' ' ' THR . 28.2 p90 -107.01 15.39 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.239999999999995 110.873 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.11 -33.5 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -87.37 -8.55 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.829 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -122.95 -60.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.340000000000003 111.104 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 50.52 56.05 8.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.95 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.07 164.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 72.349999999999994 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.41 128.33 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.894 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 147.86 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.925 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.97 -24.22 51.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 54.229999999999997 110.877 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -131.41 73.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 110.854 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.4 p -122.38 144.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 63.130000000000003 111.144 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -82.22 160.42 62.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.534 0.683 . . . . 60.439999999999998 111.129 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 53.7 Cg_endo -69.84 -30.01 22.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.26 . . . . 73.319999999999993 112.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -45.24 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 62.200000000000003 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -52.13 150.94 4.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 63.109999999999999 110.86 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -51.91 125.05 14.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 62.520000000000003 110.894 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.21 161.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.230000000000004 111.126 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.9 p -140.12 68.4 34.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 62.140000000000001 110.833 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -42.33 3.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 73.329999999999998 112.377 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.29 25.09 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 74.409999999999997 110.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.56 45.49 1.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 50.130000000000003 112.421 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.22 26.76 10.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 119.381 -0.342 . . . . 73.109999999999999 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 63.43 . . . . . . . . . . 0 0 . 1 stop_ save_