data_2cod_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 2cod _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 ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.14 163.28 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -166.71 141.02 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 p -148.94 132.13 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.49 166.11 35.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -60.55 121.52 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 mt -129.67 140.54 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.69 110.74 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -91.49 146.33 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.882 0.372 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 28' ' ' ARG . 26.5 ttmt -83.75 135.97 34.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -146.09 147.39 31.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -73.43 131.59 42.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 31' ' ' LYS . 99.6 t -125.33 153.51 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' N ' HG13 ' A' ' 30' ' ' VAL . 41.4 tttt -157.74 136.46 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -116.04 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -103.98 -41.96 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.34 -16.8 1.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 29.4 mt -108.88 -44.21 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -147.19 172.6 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -106.87 112.0 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -100.52 111.23 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 5.9 p90 -129.86 118.99 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 tt -136.71 130.3 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.36 117.67 61.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.662 0.744 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 133.23 25.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.4 tp -53.36 -31.37 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -64.15 -40.65 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.93 81.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.7 mt -50.18 103.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -83.38 -46.9 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -155.86 155.95 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 t -128.08 141.28 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -149.38 168.97 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.422 HG13 ' CZ ' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -94.11 151.05 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -142.41 148.91 38.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 39.86 -149.27 0.14 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -101.34 127.23 48.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 54.76 35.09 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -137.66 166.79 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 2.2 p90 -156.01 159.77 39.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -120.0 120.82 37.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.34 108.07 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.52 132.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -130.31 139.49 50.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 m -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.424 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 92.2 mm-40 -83.88 -75.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 4.8 mpt_? -149.23 123.03 9.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 m -47.5 137.43 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -120.89 151.17 40.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.51 118.29 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 80.2 m-85 -113.76 137.0 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.52 142.26 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.36 177.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.12 -18.96 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -127.88 154.4 45.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.47 -51.98 44.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.77 -35.0 29.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.53 -50.77 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.422 ' CZ ' HG13 ' A' ' 62' ' ' VAL . 6.2 tmm_? -46.52 -53.95 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -66.98 -40.98 87.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -55.21 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -44.14 -61.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -44.98 -57.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -50.59 -51.87 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.0 mt -49.31 -45.98 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.18 -53.72 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -53.61 -37.38 62.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.12 -39.34 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.14 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.6 mt -84.61 -36.83 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -68.46 -32.56 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.843 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.28 176.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG2' ' CE2' ' A' ' 90' ' ' TRP . 29.9 tptt -160.72 151.53 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -153.2 142.48 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.73 144.46 4.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -56.52 107.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD12 ' CZ2' ' A' ' 90' ' ' TRP . 19.5 mt -103.94 130.42 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -91.43 111.48 22.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -103.43 -175.14 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -78.86 112.85 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -137.07 133.63 35.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -61.51 136.11 57.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 31' ' ' LYS . 74.6 t -129.76 142.04 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' HG13 ' A' ' 30' ' ' VAL . 25.1 tttt -144.19 123.47 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 25.1 t80 -103.66 126.97 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -111.87 18.58 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 90.63 -47.95 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.445 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt -71.75 -59.02 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 p -144.12 170.12 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.79 105.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.4 m -93.67 122.49 36.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.6 129.3 42.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.2 tt -149.4 150.47 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.355 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mt -121.87 115.3 30.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 135.71 30.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.8 tp -53.04 -34.15 55.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.6 p -58.94 -39.28 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.01 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.9 mt -57.65 103.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -81.94 -52.11 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 t -153.28 153.76 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -125.31 139.77 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -141.17 150.1 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.42 149.85 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' HB2' ' N ' ' A' ' 68' ' ' PHE . 8.5 mm100 -131.67 141.38 49.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.08 -119.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -117.28 -53.7 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.66 46.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -148.05 170.42 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.423 ' N ' ' HB2' ' A' ' 63' ' ' GLN . 35.5 p90 -157.77 155.37 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 10.7 tt0 -108.03 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -105.74 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.29 139.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -144.48 168.56 19.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -61.94 -61.17 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.09 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -170.64 120.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.431 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 89.5 m -39.16 149.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.88 156.64 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.83 113.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 53.4 m-85 -109.05 158.72 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -133.03 141.34 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 m -104.79 176.24 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -98.24 -18.18 18.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -138.92 143.94 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.69 -41.11 66.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -56.69 -51.57 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -47.85 -39.36 18.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -49.88 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.81 -49.49 73.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -65.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.499 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 67.5 m95 -44.38 -58.27 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' SER . 39.5 mt -48.36 -71.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' ILE . 8.7 t -36.25 -53.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -51.41 -48.9 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.2 -57.46 11.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.69 -48.42 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.34 -44.51 65.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.82 -43.83 82.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.44 -42.23 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -53.56 -35.42 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.84 167.41 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 34.4 tttp -170.35 139.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t -144.52 154.04 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.72 151.03 5.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.64 103.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 90' ' ' TRP . 12.6 mt -103.27 143.07 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -86.34 99.39 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 22.5 tptp -97.81 147.72 24.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 24.8 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.373 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -74.21 110.75 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -128.56 145.03 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -88.33 117.1 27.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.48 142.11 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -143.52 130.88 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -108.59 128.94 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.86 -33.2 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.49 -13.21 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.21 -42.97 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 p -153.33 161.71 42.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.8 mt -96.87 109.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -100.42 112.88 25.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -119.67 122.86 42.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.8 tt -149.9 141.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.3 mt -115.97 115.64 40.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.4 11.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.338 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -45.03 -32.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 p -60.76 -45.17 95.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.31 -48.5 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.9 mt -54.1 107.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -82.21 -47.17 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.9 t -158.95 163.62 36.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.3 t -131.46 139.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -140.69 146.21 37.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.46 147.42 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -111.11 151.24 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -37.36 -70.41 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.19 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.33 55.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -146.45 166.26 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 10.9 p90 -135.68 149.6 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -103.62 138.27 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t -120.85 101.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.3 137.27 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' THR . 19.1 p -114.38 -175.19 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' THR . 22.6 m -34.03 -52.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.14 -52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -179.85 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.7 m -138.77 145.68 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -112.89 164.2 13.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.13 133.22 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 45.0 m-85 -130.85 146.29 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -120.88 132.88 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.21 168.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -105.08 -25.15 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -120.53 167.51 12.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -77.59 -55.12 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -49.28 -42.45 41.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ARG . 75.7 mt-10 -51.08 -55.71 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' GLU . 7.4 ttm105 -34.39 -61.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -60.94 -48.25 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.02 -66.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.483 ' CE2' HD13 ' A' ' 14' ' ' LEU . 70.9 m95 -43.63 -60.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LEU . 74.3 mt -50.97 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' ILE . 7.4 t -37.18 -49.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 84.0 mt -57.13 -42.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' ILE . 65.6 mt -65.79 -64.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.7 mt -47.57 -49.62 26.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.65 -34.28 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.38 -18.74 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 mt -85.0 -33.51 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -68.7 -29.55 68.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.867 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.321 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.87 175.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HG2' ' CZ2' ' A' ' 90' ' ' TRP . 20.3 tttp -166.22 150.45 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.5 p -152.23 129.43 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.7 167.15 38.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.528 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 78.9 m95 -69.6 104.64 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.541 HD12 ' CZ2' ' A' ' 90' ' ' TRP . 84.4 mt -111.27 142.74 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.02 145.56 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -123.92 140.86 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -74.16 122.94 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 27' ' ' LYS . 14.4 mmp_? -145.44 119.73 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -45.25 143.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 31' ' ' LYS . 61.0 t -141.42 145.21 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' N ' HG11 ' A' ' 30' ' ' VAL . 17.9 tptm -149.12 140.98 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 39.9 t80 -125.63 145.06 50.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -125.59 -41.07 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 153.96 -31.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.0 mt -87.25 -48.69 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.0 p -154.78 175.17 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.46 114.57 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.6 m -98.87 119.02 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 44.4 p90 -124.09 123.13 39.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 38' ' ' SER . 2.1 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.457 ' HA3' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.68 151.76 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 mt -126.53 112.76 23.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HG2' ' CB ' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.77 124.72 11.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tp -46.1 -39.86 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.7 t -56.3 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' THR . . . -55.29 -47.44 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.7 mt -52.45 113.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -87.31 -55.86 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -149.88 169.68 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 61' ' ' ARG . 35.0 t -137.82 142.44 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' N ' HG11 ' A' ' 60' ' ' VAL . 8.1 ptm180 -151.07 130.67 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 26.3 m -67.61 130.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -125.68 146.71 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.51 -140.28 37.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.38 133.57 55.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 m120 47.8 42.76 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -147.56 162.32 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 43.7 p90 -150.49 156.35 41.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -110.16 121.4 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.4 t -100.64 93.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.43 135.76 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.3 p -103.5 179.09 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ALA . 1.9 t -39.66 -38.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -134.96 -62.75 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -69.23 177.24 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 97.8 m -139.21 132.33 29.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.29 171.39 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 79' ' ' PHE . 87.0 t -140.97 144.19 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 40.6 m-85 -140.82 163.57 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -138.6 136.48 36.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.72 177.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -111.65 -18.48 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -133.58 160.35 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.46 -54.76 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.73 -37.93 63.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -44.31 69.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -52.11 -59.5 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.37 -47.35 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.1 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.541 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 69.0 m95 -51.12 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.44 ' CD1' ' CG1' ' A' ' 62' ' ' VAL . 68.3 mt -47.16 -58.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -45.21 -49.66 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 77.7 mt -55.77 -51.7 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.41 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.5 mt -54.45 -48.18 72.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -51.46 -44.03 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.85 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 mt -50.67 -40.14 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -63.42 -44.38 94.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 tptm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.801 0.334 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.34 162.73 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 13.2 tttm -161.91 149.63 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -154.68 128.07 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.53 168.98 39.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -76.29 107.17 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' HG13 ' A' ' 81' ' ' VAL . 51.5 mt -108.34 160.53 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.33 123.11 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -104.71 158.98 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -108.32 102.28 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -130.05 150.14 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -73.42 132.5 43.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -122.35 151.26 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -150.63 140.04 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CD2' HG21 ' A' ' 93' ' ' ILE . 19.7 t80 -118.91 125.15 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.29 1.58 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 99.14 -20.54 49.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.22 -41.36 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 p -153.08 163.34 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.0 mt -105.96 99.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -96.34 126.12 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -121.29 130.74 53.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 6.1 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.5 tt -146.11 142.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -112.53 114.56 50.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 125.96 12.74 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -47.4 -32.71 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -60.34 -37.02 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.53 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.47 111.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -92.52 -31.07 15.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -170.13 151.5 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 39.9 t -123.01 142.41 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -142.01 142.99 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.43 149.69 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -107.11 148.44 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.2 13.11 16.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASN . 7.6 m-20 -132.57 64.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 35.88 37.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -140.43 176.22 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 12.8 p90 -150.98 143.21 24.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.28 134.01 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.34 107.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.8 124.8 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.0 p -133.13 163.86 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -56.6 -60.75 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -46.97 -66.79 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -167.09 150.53 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 98.6 m -61.04 134.73 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -113.53 169.46 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.3 t -145.88 113.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 61.1 m-85 -106.42 172.19 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -142.47 149.67 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 14' ' ' LEU . 1.2 m -122.62 173.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.06 -35.44 10.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -118.81 149.14 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.92 -46.57 90.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 68.8 mm-40 -51.54 -43.79 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.85 -43.87 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.12 -53.62 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.1 p30 -65.23 -45.22 85.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 14.8 t70 -52.99 -59.01 5.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.504 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 54.0 m95 -46.73 -65.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 94' ' ' LEU . 77.1 mt -48.91 -61.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -38.48 -42.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 32' ' ' PHE . 80.0 mt -66.43 -39.5 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 91' ' ' ILE . 42.0 mt -67.09 -54.45 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.07 -43.96 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -59.43 -41.65 90.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.49 73.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.69 -44.61 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -47.55 -26.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.98 171.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 16.4 tttm -171.54 147.34 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p -150.28 145.46 26.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.61 161.35 24.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.34 118.58 9.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 73.2 mt -123.31 132.45 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.57 99.86 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -89.11 145.45 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 7.7 tt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -81.72 118.05 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -144.56 133.9 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -62.17 140.26 58.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.2 t -134.61 136.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -140.86 152.39 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 44.2 t80 -128.27 147.69 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.49 -43.04 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 152.19 -21.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 9.6 mt -106.5 -41.71 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -154.36 167.67 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mt -106.02 116.0 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -95.86 113.08 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -117.21 125.49 51.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.9 tt -145.18 143.83 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -110.89 113.02 55.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.727 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.72 12.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 20.0 tp -45.35 -31.92 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 p -62.07 -42.04 98.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.43 -45.39 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -55.55 98.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -80.68 -47.28 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -157.33 148.26 21.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.58 137.69 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.2 ptm85 -146.29 147.14 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -78.96 140.45 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.3 142.34 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.88 -154.13 43.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 66' ' ' ASN . 2.3 m-20 -105.14 130.19 53.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 47.47 37.61 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -142.86 163.6 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.2 p90 -151.16 156.83 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 4.6 tt0 -105.16 118.25 36.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -99.35 94.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.76 111.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.0 p -115.6 164.86 13.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 m -68.48 -44.79 74.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.86 -56.96 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.2 ptp180 -174.94 121.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' ARG . 28.3 m -34.91 141.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -121.52 135.72 55.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.92 127.17 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 35.9 m-85 -126.55 153.26 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -129.26 135.29 48.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -99.01 175.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.26 -31.87 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -131.39 145.34 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.9 tp10 -50.46 -57.52 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -37.84 -50.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' ARG . 52.9 mt-10 -53.51 -49.9 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' NH2' ' OE1' ' A' ' 84' ' ' GLU . 7.8 ttm180 -38.0 -54.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -66.86 -41.33 87.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -52.01 -64.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 77.8 m95 -45.98 -62.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.3 mt -47.91 -46.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 t -58.4 -48.76 79.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 90.2 mt -55.28 -44.56 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.52 -52.5 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.46 -49.83 69.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -52.28 -37.73 56.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.53 -53.79 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.76 -25.79 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -72.79 -30.02 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.79 163.52 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 27.8 tttp -168.16 140.67 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 p -141.58 121.34 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 163.99 34.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -78.96 99.05 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 mt -105.83 165.89 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD2' ' CD ' ' A' ' 80' ' ' ARG . 33.0 m-20 -98.88 144.12 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 91.98 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.92 0.391 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -123.09 120.55 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -145.57 132.28 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 42.0 t-105 -61.62 142.33 57.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.6 t -127.83 150.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -156.67 127.21 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.422 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 20.0 t80 -105.65 138.56 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -120.08 -0.76 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 104.76 -35.58 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.47 -55.06 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.8 p -147.31 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.37 114.42 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -109.17 122.85 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -122.73 141.05 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CZ ' ' CD1' ' A' ' 29' ' ' TRP . 1.9 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 tt -150.49 147.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.1 mt -118.14 113.37 37.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.13 22.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.76 -41.18 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.4 t -52.5 -48.67 65.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.54 -49.54 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.6 mt -53.15 115.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 -55.72 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -155.29 144.01 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.73 139.26 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -132.15 161.06 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.37 135.99 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 64' ' ' GLY . 24.3 mt-30 -100.08 167.47 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -35.07 -89.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.86 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -73.5 66.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -144.43 172.18 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 34.7 p90 -153.34 160.14 42.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' CD ' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -118.74 142.0 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.2 t -114.28 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.94 133.11 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 p -139.31 171.13 14.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.3 m -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.73 -64.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.6 ptp180 -166.52 137.05 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.7 m -53.94 135.89 41.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 49.7 m-85 -113.67 162.8 15.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 ' CD ' ' A' ' 69' ' ' GLU . 22.9 t -127.35 127.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 64.9 m-85 -134.98 133.58 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.455 ' CD ' ' OD2' ' A' ' 15' ' ' ASP . 7.4 ptm180 -109.26 165.98 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 m -116.04 175.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -102.22 -19.17 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -146.06 164.15 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.43 -38.78 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 87' ' ' ARG . 16.5 mt-10 -56.98 -57.21 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 86' ' ' GLU . 46.7 ttp180 -35.32 -60.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.78 -39.31 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 90' ' ' TRP . 0.8 OUTLIER -64.99 -72.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.497 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 58.2 m95 -35.96 -42.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -74.06 -45.27 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' ASP . 22.7 m -59.88 -32.81 71.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.69 -57.01 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.23 -55.41 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -49.44 -53.4 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.09 -36.35 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.58 -15.11 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.24 -43.84 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -35.91 80.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 m -142.5 167.58 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -162.32 138.66 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.8 p -143.66 117.71 9.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.17 -159.75 9.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.8 107.49 18.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 81' ' ' VAL . 52.0 mt -117.11 138.61 51.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.34 121.21 29.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -87.19 115.65 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -74.34 119.07 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -150.2 134.24 16.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -62.32 127.94 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -121.03 147.97 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -142.43 150.66 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 21.7 t80 -136.32 121.8 19.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -114.63 11.16 16.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 97.87 -44.76 1.78 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.52 -55.52 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 t -153.42 172.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.53 103.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.454 ' CA ' HG13 ' A' ' 51' ' ' ILE . 1.5 t -105.28 130.34 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.482 ' CE1' ' O ' ' A' ' 50' ' ' GLY . 2.5 p90 -117.25 134.21 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.943 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.454 HG13 ' CA ' ' A' ' 38' ' ' SER . 3.9 tt -144.13 151.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mt -124.16 113.37 28.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.35 10.99 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -40.79 -42.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 p -48.3 -50.3 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.8 59.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.2 mt -50.73 105.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -84.28 -44.1 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -169.93 155.7 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.433 ' CG1' HG12 ' A' ' 91' ' ' ILE . 46.9 t -113.71 135.98 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -140.73 123.66 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -55.27 139.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' GLY . 20.1 tt0 -139.6 163.98 31.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 35.88 -154.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.2 136.34 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 39.17 38.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -136.52 164.76 27.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 16.4 p90 -146.91 146.97 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 8.0 tt0 -105.27 116.32 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -92.95 100.3 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -66.87 131.5 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.6 p -138.99 156.54 47.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 m -60.08 -53.51 56.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -55.63 -62.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 13.1 ptm180 -170.01 125.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 32.7 m -43.41 134.57 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 50.7 m-85 -118.5 142.28 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 t -111.93 140.6 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 13.4 m-85 -131.03 137.45 49.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.61 135.88 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG12 ' CD2' ' A' ' 14' ' ' LEU . 27.2 m -112.06 161.01 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -79.0 -18.18 54.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -143.63 145.68 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 87' ' ' ARG . 16.9 pt-20 -53.84 -53.65 49.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 10.3 mt-10 -36.23 -45.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.09 -43.47 98.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.2 tmm_? -54.68 -45.3 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.463 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -72.81 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.6 m-20 -58.86 -65.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -39.14 -52.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.433 HG12 ' CG1' ' A' ' 60' ' ' VAL . 87.5 mt -52.56 -63.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.3 t -45.77 -41.03 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.4 mt -64.37 -58.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.4 mt -50.28 -51.75 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.87 -52.97 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -46.91 -40.67 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.2 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.8 mt -58.55 -43.64 89.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -46.96 -38.27 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.57 167.78 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HE2' ' CD1' ' A' ' 90' ' ' TRP . 30.0 tttp -164.85 139.3 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.2 p -151.52 119.96 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.97 168.51 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -71.39 110.01 5.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.8 mt -112.91 164.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -108.04 113.2 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -85.22 97.75 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.722 ' NE2' HH12 ' A' ' 28' ' ' ARG . 6.1 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.97 134.02 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.722 HH12 ' NE2' ' A' ' 26' ' ' GLN . 46.4 mtm-85 -161.59 131.37 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -63.96 135.41 56.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.1 144.56 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 82.6 tttt -146.97 157.61 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 25.8 t80 -132.12 141.89 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.37 -43.69 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 -9.48 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -120.12 -40.0 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -153.46 159.86 42.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 mt -98.38 117.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.424 ' CA ' HD13 ' A' ' 51' ' ' ILE . 5.8 p -105.68 117.2 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -122.4 131.26 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.424 HD13 ' CA ' ' A' ' 38' ' ' SER . 2.4 tp -143.43 132.6 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -106.42 113.23 63.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.49 10.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 tp -45.69 -29.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -62.35 -44.27 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.32 73.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.22 117.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -98.36 -48.41 5.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 t -162.0 155.73 21.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.78 148.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -147.15 145.32 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -81.55 140.84 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.406 ' NE2' HG13 ' A' ' 78' ' ' VAL . 4.0 pt20 -133.61 162.66 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.17 -122.31 17.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.37 -46.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.91 33.69 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -129.93 167.03 18.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 3.6 p90 -150.61 161.66 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -119.49 132.52 55.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.76 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.11 116.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -117.06 149.59 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 73' ' ' THR . 7.7 m -60.56 -12.09 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -99.35 -70.3 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 44.4 mtt-85 -152.77 120.87 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.0 m -52.86 135.85 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' ARG . 13.0 m-85 -124.93 146.58 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' A' ' 63' ' ' GLN . 60.7 t -108.93 121.27 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 17.6 m-85 -114.84 132.34 56.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -112.94 142.44 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.17 167.91 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.29 -18.87 23.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -146.04 131.62 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -40.61 -55.79 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 22.4 tt0 -38.02 -50.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -52.57 -49.3 65.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -42.91 -60.22 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 2.6 t70 -61.93 -63.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.532 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 75.3 m95 -46.11 -53.04 11.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 52.4 mt -57.51 -49.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -54.83 -39.78 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.404 HG23 ' CD2' ' A' ' 32' ' ' PHE . 41.7 mt -68.83 -46.76 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.45 -52.9 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.02 -34.29 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -75.49 -16.93 60.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.58 -21.49 21.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.033 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.4 mt -82.62 -19.14 38.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -84.43 -28.92 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tptt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.851 0.357 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.01 170.3 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HE2' ' NE1' ' A' ' 90' ' ' TRP . 20.4 tttt -173.6 143.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -150.28 133.65 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.57 149.6 14.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.538 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 73.6 m95 -63.11 105.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 90' ' ' TRP . 27.5 mt -121.72 162.3 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.37 120.43 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -101.0 125.35 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -46.3 129.93 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -159.22 133.06 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 4.7 t-105 -69.01 129.43 39.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.479 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 92.5 t -111.38 138.17 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' N ' HG13 ' A' ' 30' ' ' VAL . 15.5 tttt -131.81 144.39 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.442 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 31.4 t80 -129.7 126.37 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.76 28.99 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 83.62 -48.62 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 mt -70.64 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -141.03 171.02 14.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 19.2 mt -103.13 108.35 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 3.0 t -101.16 114.82 29.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -108.15 138.17 44.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 38' ' ' SER . 3.1 tp -141.98 139.45 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.69 112.07 48.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.15 14.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.9 tp -46.72 -39.89 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -52.75 -47.7 67.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' SER . . . -49.29 -50.7 38.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt -47.7 91.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 53.0 m -76.48 -43.29 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.1 t -166.73 150.08 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.0 t -121.0 141.59 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -148.29 136.77 21.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -69.93 133.81 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -142.56 135.25 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.22 -154.97 51.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.54 130.35 49.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m120 45.67 42.24 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -146.79 161.88 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 15.4 p90 -144.03 173.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -121.78 130.97 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.3 t -115.4 102.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -75.91 130.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.7 p -138.46 165.87 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 m -59.86 -60.27 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -50.05 -63.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.1 137.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.7 m -57.01 141.49 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.73 166.61 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -131.42 117.97 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 39.8 m-85 -105.31 150.41 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -128.37 126.88 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -97.78 172.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.15 -21.64 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -143.76 158.61 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.75 -54.6 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -39.61 -54.03 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -49.92 -40.11 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -53.99 -55.76 24.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -65.14 -43.6 91.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.15 -60.91 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.499 ' CE2' HD12 ' A' ' 14' ' ' LEU . 67.7 m95 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.8 mt -50.21 -46.57 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -58.2 8.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.42 HG21 ' CD2' ' A' ' 32' ' ' PHE . 81.9 mt -45.22 -50.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.41 ' CD2' HD13 ' A' ' 37' ' ' ILE . 28.0 mt -55.53 -61.23 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 92.0 mt -49.74 -50.25 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -54.2 -44.11 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.41 75.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.51 -42.36 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -54.73 -45.97 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -132.63 166.42 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 34.5 tttp -173.3 142.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.5 p -149.08 131.27 15.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.7 -177.68 40.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.546 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 14.3 m95 -78.0 96.81 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -103.25 123.55 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 127.05 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -104.56 152.58 22.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.546 ' CG ' ' CE3' ' A' ' 13' ' ' TRP . 10.3 tppt? -74.15 145.48 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.87 137.57 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.6 t-105 -79.33 106.11 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 13.2 t -109.96 140.57 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -143.01 132.27 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.404 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 19.1 t80 -104.48 121.2 42.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -99.12 -8.43 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 114.81 -36.79 3.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.03 -51.92 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.9 m -151.49 170.38 19.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 21.7 mt -102.44 113.6 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -107.56 131.2 54.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 1.5 p90 -114.19 167.28 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 2.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.546 ' C ' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.36 142.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.3 mt -105.71 113.2 64.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.717 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.14 44.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.21 -37.37 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 p -54.96 -46.73 75.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -43.37 62.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.84 106.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -91.16 -35.07 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -168.29 146.62 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.56 139.92 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.64 169.51 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.97 150.41 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' GLY . 3.5 tp-100 -133.43 144.33 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 36.39 -134.88 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.55 124.74 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.6 35.25 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -142.2 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 25.4 p90 -150.69 153.94 36.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.72 136.63 52.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.11 113.12 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.171 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.22 109.02 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.0 p -118.43 156.62 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -54.3 -61.43 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -46.15 -60.46 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -173.24 135.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -56.11 134.37 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -110.82 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.6 139.54 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 24.8 m-85 -140.31 141.72 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -118.91 147.43 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 m -115.1 175.96 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -103.06 -38.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -116.64 142.91 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -50.45 -50.1 53.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' ARG . 23.6 mt-10 -50.19 -53.88 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' GLU . 11.6 ttm180 -36.24 -69.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -51.25 -51.69 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -46.44 -63.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.487 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 82.9 m95 -48.0 -59.54 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 54.1 mt -49.62 -66.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -42.95 -53.44 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.67 -57.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -50.5 -56.66 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.3 mt -51.29 -50.07 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -54.1 -43.2 70.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.35 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.2 -53.43 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -61.48 -31.18 71.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.52 154.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 22.5 tttm -157.64 135.56 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -148.63 141.68 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.15 -159.79 21.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -108.13 97.85 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.41 156.63 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.98 150.09 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.17 131.89 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -80.01 103.79 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -124.63 125.35 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -66.49 123.6 20.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 26.3 t -115.36 150.82 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -151.86 126.47 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 21.0 t80 -100.44 133.61 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -112.88 9.09 18.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.52 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 93.47 -23.96 27.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.54 -48.47 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.4 m -151.22 164.76 35.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.531 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 48.0 mt -94.1 104.01 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -93.2 110.15 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -120.03 139.6 52.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.9 tt -150.34 137.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 mt -102.6 114.59 65.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.24 35.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.324 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tp -55.48 -35.08 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.2 p -58.41 -41.84 85.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.22 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.49 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 t -74.43 -42.63 58.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -162.79 136.7 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -111.93 142.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.6 ptm85 -149.07 157.45 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.1 m -83.35 147.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . 84.5 mt-30 -110.98 147.51 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.71 -71.99 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.96 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -76.02 52.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -145.15 172.28 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.9 p90 -133.9 156.87 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.92 132.63 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.8 t -118.44 97.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.94 121.75 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 75.6 p -115.42 -178.77 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -82.58 -26.02 32.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.45 ' N ' HG22 ' A' ' 73' ' ' THR . 9.7 mt-30 -92.7 -66.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 6.2 ptm180 -154.6 123.26 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.8 m -44.5 137.3 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.45 147.46 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.01 107.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 56.0 m-85 -103.47 144.23 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -117.29 146.42 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.7 m -109.99 175.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -99.96 -21.84 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -137.68 144.4 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -49.74 -41.07 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.09 -58.82 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.76 -38.35 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -49.48 -59.25 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.58 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.95 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.488 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 62.6 m95 -39.51 -62.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 92' ' ' SER . 75.6 mt -43.97 -67.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' ILE . 23.4 m -35.58 -58.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.87 -51.78 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.92 -52.53 65.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.2 mt -52.25 -44.09 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 18.0 t-20 -66.18 -38.0 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -28.04 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.8 mt -72.68 -45.64 57.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 ptpp? -69.61 -37.33 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 m -134.42 177.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 23.3 tttp -163.32 138.1 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -147.6 120.23 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 29' ' ' TRP . . . -171.03 164.27 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.425 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 91.1 m95 -63.71 110.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.4 mt -109.22 127.71 54.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.43 115.14 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -111.27 145.79 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' OE1' ' NH2' ' A' ' 28' ' ' ARG . 26.0 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 29.7 tttm -111.13 85.99 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 28.7 mmt85 -110.3 147.05 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.1 t-105 -81.79 141.91 33.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.8 t -132.79 147.58 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 31' ' ' LYS . 8.0 tmtt? -149.75 144.47 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -126.77 134.53 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.98 -30.93 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.26 4.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.2 mt -111.34 -45.53 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 p -149.12 163.05 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.68 106.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 p -94.03 120.76 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 46.1 p90 -123.76 126.18 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 tt -129.06 133.79 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mt -109.37 116.91 54.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 131.14 20.53 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -48.19 -31.38 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -64.12 -42.54 96.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.0 79.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 85.2 mt -54.05 92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 m -67.59 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 t -170.7 155.95 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -124.25 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -150.84 138.21 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -60.28 133.26 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.9 119.97 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.89 -167.52 38.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.99 115.67 28.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 55.97 45.08 24.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -143.84 170.72 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 31.0 p90 -154.63 145.0 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -105.74 121.42 43.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.59 111.39 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 127.99 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.6 p -130.77 172.42 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -63.32 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -44.32 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -165.51 142.13 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 68.9 m -52.58 142.11 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.25 161.14 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.89 122.33 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 62.5 m-85 -122.39 137.38 54.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -116.05 157.17 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.21 165.57 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.05 -12.17 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -143.77 143.32 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -56.65 -50.4 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 19.0 mt-10 -47.06 -42.53 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -44.15 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.66 -65.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 1.2 p30 -50.41 -40.84 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.34 -55.91 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.469 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 68.6 m95 -51.36 -60.77 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.4 mt -50.03 -49.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m -51.65 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 57.0 mt -56.5 -53.95 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.18 -54.92 24.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.88 -43.71 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.75 -44.1 81.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.3 90.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.01 -39.12 65.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -57.56 -20.74 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.09 168.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 34.7 tptt -161.93 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -157.47 120.87 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.0 169.36 38.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -82.84 91.0 6.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 13.2 mt -102.05 149.19 24.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' A' ' 26' ' ' GLN . 7.1 t0 -88.99 130.72 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 1.5 mmmp? -84.71 143.99 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' C ' ' OD1' ' A' ' 15' ' ' ASP . 51.8 mt-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -52.15 126.2 17.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -151.94 162.48 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -85.28 144.65 27.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 31' ' ' LYS . 62.1 t -136.2 138.61 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' N ' HG12 ' A' ' 30' ' ' VAL . 17.0 tptm -137.39 129.15 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.545 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 33.2 t80 -113.72 126.89 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -115.37 25.71 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 84.88 -46.56 3.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.42 -59.41 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 p -150.04 171.08 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -104.47 103.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 118.84 36.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CE2' ' HE3' ' A' ' 16' ' ' LYS . 47.7 p90 -113.57 133.26 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 tt -140.88 141.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.96 112.11 53.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.4 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 5.1 tp -37.59 -43.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -46.22 -47.47 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.81 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -52.82 126.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -108.55 -48.8 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -154.51 145.17 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.3 t -116.59 136.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.27 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 m -90.67 138.03 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -151.61 129.55 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.63 -177.02 54.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 66' ' ' ASN . 13.6 t70 -77.11 117.93 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 65' ' ' ASP . 28.5 m-80 49.3 44.64 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -141.77 164.41 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -144.98 157.16 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 15.8 tt0 -108.63 120.87 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -95.78 100.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 72' ' ' THR . 59.0 t -71.09 145.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.423 ' N ' HG11 ' A' ' 71' ' ' VAL . 60.9 p -152.14 174.31 13.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -76.2 -44.49 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -64.3 -58.99 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 ptp180 -172.49 131.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.449 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 42.1 m -51.15 134.59 26.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 81.8 m-85 -114.08 176.46 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.33 140.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.22 153.51 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -124.92 137.22 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.09 177.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -106.73 -17.25 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -138.52 148.99 44.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.75 -47.49 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.86 -50.46 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -45.91 -54.24 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -41.61 -58.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.63 -50.5 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD2' ' CE ' ' A' ' 10' ' ' LYS . 4.7 t70 -51.68 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 90.8 m95 -40.87 -57.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.1 mt -52.32 -62.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -46.27 -43.81 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 43.3 mt -59.33 -56.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.6 mt -52.64 -59.29 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.2 mt -51.2 -35.3 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.41 -31.18 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . . . -68.68 -46.4 69.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.91 -48.17 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -51.16 -48.52 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.75 175.4 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.2 tttm -170.51 140.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.8 p -144.18 128.63 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.13 148.92 13.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -60.06 113.43 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 HD12 ' CZ2' ' A' ' 90' ' ' TRP . 86.7 mt -118.24 170.02 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 17.3 m-20 -109.4 149.2 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -113.78 105.27 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.906 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.14 148.58 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -163.61 133.79 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.05 121.81 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -115.78 146.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -146.57 142.15 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -128.51 139.58 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.57 -42.53 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.87 -21.75 0.6 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp -97.44 -50.88 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 p -154.0 165.86 34.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.35 118.62 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 m -111.64 120.96 43.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -116.65 140.29 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.5 149.83 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.101 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -117.6 112.86 38.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 tp -59.04 -33.42 70.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.0 p -63.13 -36.6 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.85 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.13 93.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -69.64 -48.99 57.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -162.7 147.28 11.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.404 ' CG1' HG12 ' A' ' 91' ' ' ILE . 60.5 t -110.84 136.66 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . 3.0 ptp180 -146.92 121.75 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 31.3 m -66.03 153.3 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 64' ' ' GLY . 18.8 tt0 -112.26 163.19 14.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -36.11 -77.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.37 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 67.8 m-20 -76.39 50.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -136.48 170.29 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 33.9 p90 -139.0 162.04 35.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -115.48 120.68 40.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -98.94 101.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.43 118.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.7 p -113.81 174.66 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.1 m -74.94 -27.81 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.428 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 35.4 mm-40 -83.82 -75.67 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -145.87 122.26 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.1 m -48.0 127.97 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -109.22 163.79 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.4 t -133.23 121.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 31.4 m-85 -109.65 159.14 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.445 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 48.0 ttp85 -129.12 148.1 51.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 66' ' ' ASN . 11.1 m -118.09 173.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.64 -27.34 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -127.14 163.88 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.56 -46.93 71.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -58.95 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -46.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -58.1 -52.01 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -57.54 -42.17 82.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.43 -58.65 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.465 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 69.7 m95 -46.12 -62.02 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 62' ' ' VAL . 87.1 mt -50.29 -58.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -42.44 -46.25 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 76.9 mt -64.12 -44.02 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.76 -58.46 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.87 -33.69 37.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.36 -29.88 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.86 -34.37 60.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.92 -53.26 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -52.8 -35.43 56.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.81 170.95 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 26.0 tttp -164.69 141.02 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -152.4 132.63 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 -134.09 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -122.32 99.63 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 53.8 mt -103.78 123.65 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.27 118.36 30.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 35.1 ttpt -122.85 153.38 39.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 4.9 tp60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 35.1 tttt -99.44 127.69 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -150.74 138.02 19.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -72.19 135.17 46.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 31' ' ' LYS . 21.6 t -124.59 160.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 22.8 tttp -158.19 148.38 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 23.4 t80 -124.88 132.99 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.13 4.29 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 101.47 -37.37 3.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.31 -58.37 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -142.72 155.01 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -88.9 104.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.9 p -94.0 120.45 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -122.39 142.34 50.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.5 tt -143.02 138.06 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.3 mt -108.34 115.46 58.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.12 20.55 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 tp -47.5 -31.23 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -65.48 -38.83 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.77 83.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.31 126.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -102.97 -49.59 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 t -163.24 145.79 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.31 139.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -147.79 147.79 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 91' ' ' ILE . 33.1 m -75.09 135.88 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -148.18 118.49 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.89 -179.08 51.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.31 120.28 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 52.19 48.56 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -148.09 163.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 11.7 p90 -152.07 151.29 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -107.94 119.34 39.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.45 94.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 t -73.82 122.0 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -114.38 -175.28 2.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -72.87 124.94 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 49.55 24.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -172.44 165.6 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 97.2 m -146.68 130.51 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -109.76 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.0 t -106.49 117.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 30.2 m-85 -110.5 161.88 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -137.32 140.2 41.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -107.32 176.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -104.44 -34.14 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -120.42 153.5 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.91 -58.43 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -41.58 -51.82 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -48.93 -41.98 35.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -52.18 -61.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.4 p30 -57.47 -50.35 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -48.66 -55.3 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -52.09 -59.25 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.435 ' CD1' HG12 ' A' ' 62' ' ' VAL . 53.5 mt -52.89 -63.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -40.17 -55.51 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 81.2 mt -50.92 -48.25 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.38 -53.27 59.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.8 mt -54.84 -35.32 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -70.42 -39.32 74.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.38 -14.88 60.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.7 -57.2 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -45.81 -36.67 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tptt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.19 -175.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 25.8 tttp -170.67 137.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -149.18 123.94 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.65 176.06 44.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 92.2 m95 -72.52 111.69 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 mt -120.28 131.75 55.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.94 108.47 7.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -89.59 156.41 18.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.437 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 25.0 mt-30 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 32.5 tttm -92.48 94.88 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' NE ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -118.41 153.9 33.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -76.86 129.86 36.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 31' ' ' LYS . 88.6 t -116.97 143.0 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 30' ' ' VAL . 1.4 tmtp? -140.19 142.32 35.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 27.5 t80 -132.97 128.23 35.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' HB2' ' CE ' ' A' ' 31' ' ' LYS . 29.9 t0 -120.05 29.79 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.551 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 81.35 -36.72 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.91 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.8 m -143.28 172.67 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -108.15 109.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -104.55 116.62 32.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -110.24 121.23 44.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 tt -148.6 146.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mt -115.78 111.68 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -39.67 -38.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -52.12 -47.04 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.33 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.0 mt -52.8 106.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -87.95 -41.75 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -168.05 158.88 10.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -137.77 144.94 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -152.34 153.84 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 91' ' ' ILE . 31.6 m -73.86 124.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' O ' ' C ' ' A' ' 64' ' ' GLY . 11.5 tt0 -99.75 117.64 34.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 31.12 -99.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -75.29 48.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -126.29 176.46 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 46.3 p90 -148.1 144.87 28.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 12.2 tt0 -100.55 113.88 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.9 t -90.99 99.8 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.74 134.88 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.7 p -145.5 159.61 42.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.3 m -63.69 -46.99 83.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.73 -65.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' THR . 13.5 ptm180 -171.6 120.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 87.5 m -35.43 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.46 ' N ' HG21 ' A' ' 76' ' ' THR . 96.2 m-85 -120.42 164.47 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 77' ' ' PHE . 41.5 t -137.02 135.3 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 57.0 m-85 -132.54 156.54 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.32 144.56 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -101.82 175.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -108.15 -20.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.55 155.43 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -57.58 -43.86 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.15 -53.07 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -45.11 -43.89 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -49.92 -44.04 50.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -81.31 -40.85 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.53 -61.98 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 86.0 m95 -47.82 -62.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 62' ' ' VAL . 64.4 mt -51.05 -48.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 t -55.14 -41.87 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 83.1 mt -66.62 -45.58 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.77 -54.46 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.29 -36.94 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.86 -34.27 62.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.1 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.82 -47.55 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.54 -44.61 72.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 tttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.46 173.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.5 tttm -166.32 141.36 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -151.76 147.44 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.88 159.58 21.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -70.03 107.12 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -117.33 141.19 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -72.94 125.53 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 20.5 tptm -116.09 147.53 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 4.5 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -175.12 117.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -151.05 129.06 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -71.63 150.88 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 37' ' ' ILE . 56.9 t -145.54 129.52 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -132.12 145.26 51.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -124.49 137.26 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.59 -38.44 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.64 -26.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -97.78 -49.04 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.8 p -150.33 170.97 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.441 ' CG2' HG11 ' A' ' 30' ' ' VAL . 18.0 mt -110.02 119.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 m -101.39 124.47 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CE1' ' C ' ' A' ' 50' ' ' GLY . 24.7 p90 -119.04 138.11 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.536 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 tt -150.65 139.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.101 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mt -116.7 112.41 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.76 119.2 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.6 tp -37.57 -42.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -51.97 -47.02 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.73 -46.6 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.09 112.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -87.76 -49.21 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -151.74 164.24 37.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -138.62 129.44 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.91 170.18 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 91' ' ' ILE . 35.6 m -98.52 145.22 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' GLY . 7.2 tt0 -105.27 160.1 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.15 -69.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.69 -176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -76.62 50.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -142.53 175.1 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 6.0 p90 -137.33 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -118.05 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -91.45 92.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.11 126.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' THR . 2.4 p -137.31 129.29 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . 55.8 m -33.96 -56.12 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -49.68 -72.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -161.45 121.85 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.5 m -45.86 142.29 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.405 ' C ' HG22 ' A' ' 78' ' ' VAL . 62.8 m-85 -127.79 170.25 12.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.405 HG22 ' C ' ' A' ' 77' ' ' PHE . 34.5 t -135.43 136.97 50.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 40.9 m-85 -130.02 135.78 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -112.0 139.84 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 m -104.58 177.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.8 -22.85 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -136.29 145.08 45.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -52.13 -41.52 62.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 15.9 tt0 -58.83 -43.99 90.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.33 -43.67 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -53.92 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 2.0 p30 -54.92 -36.5 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -58.79 -50.97 71.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 79.9 m95 -60.72 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.425 ' CD1' HG13 ' A' ' 62' ' ' VAL . 71.2 mt -48.85 -40.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.3 t -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 70.5 mt -67.52 -46.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.22 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.9 mt -52.04 -33.66 39.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -79.53 -19.31 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.57 -29.71 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.8 -53.19 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -52.38 -32.64 39.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.902 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.01 175.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG2' ' CE2' ' A' ' 90' ' ' TRP . 23.2 tptt -160.09 152.94 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 p -158.23 125.64 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 138.17 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -50.37 112.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD12 ' CZ2' ' A' ' 90' ' ' TRP . 68.4 mt -109.33 141.12 42.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.26 97.45 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 28.6 tttm -104.54 148.09 26.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 32.8 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.72 123.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -147.59 134.02 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 2.3 t-105 -73.99 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -112.69 148.01 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -146.38 132.03 18.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 47.3 t80 -123.42 124.93 44.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -109.25 21.48 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.536 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 91.68 -38.2 3.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -62.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 17.6 m -144.59 175.63 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.4 mt -111.71 108.44 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.414 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 40.2 m -109.62 114.04 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -105.32 159.28 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 0.0 OUTLIER -137.35 139.02 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 51' ' ' ILE . 22.4 mt -109.28 111.19 60.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 142.05 46.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.64 -39.56 73.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 t -53.33 -46.56 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.43 -48.26 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 94' ' ' LEU . 81.2 mt -50.8 92.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -78.03 -44.99 24.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.1 t -166.19 139.41 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.53 144.91 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 2.2 ptm85 -141.12 121.38 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 91' ' ' ILE . 31.4 m -50.24 153.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 67' ' ' LYS . 13.5 mm100 -111.03 178.36 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -32.55 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASN . 1.6 m-20 -134.57 145.57 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ASP . 24.7 m-80 35.63 44.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 63' ' ' GLN . 8.1 mtmp? -148.29 176.69 10.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 21.0 p90 -167.32 152.56 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' CD ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -111.77 128.5 56.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -106.72 99.94 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.6 126.88 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.9 p -131.25 158.48 40.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.1 m -58.87 -48.77 80.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.33 -62.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.6 ptt180 -172.9 116.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 77' ' ' PHE . 43.7 m -37.06 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.43 ' N ' HG21 ' A' ' 76' ' ' THR . 66.7 m-85 -120.05 138.85 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.406 HG21 ' CD ' ' A' ' 69' ' ' GLU . 60.6 t -97.04 131.87 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.406 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 m-85 -128.33 158.4 38.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -136.91 131.35 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 87' ' ' ARG . 13.0 m -95.05 173.83 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -102.4 -26.67 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -128.37 153.17 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -58.96 -46.52 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.34 -47.52 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -55.78 -49.06 74.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.422 ' HB2' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.13 -46.59 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.3 -52.51 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -46.7 -60.45 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.449 ' CE2' ' HG2' ' A' ' 10' ' ' LYS . 60.5 m95 -42.73 -56.94 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.466 ' CD1' HG13 ' A' ' 62' ' ' VAL . 77.6 mt -51.23 -62.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -42.81 -55.33 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.5 mt -44.14 -60.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 ' CD2' HD11 ' A' ' 57' ' ' ILE . 29.6 mt -47.66 -57.13 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 65.5 mt -50.84 -47.9 60.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -58.35 -39.88 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.92 -57.76 11.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.3 mt -38.77 -46.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.53 -50.89 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.32 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.4 -178.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 40.4 tttp -165.6 137.33 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -143.26 147.88 35.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.66 163.45 15.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.421 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 96.5 m95 -67.34 108.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 90' ' ' TRP . 96.1 mt -109.03 145.08 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 126.54 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -113.74 158.91 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.2 ttmm -115.75 119.12 35.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -147.76 136.02 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -62.94 124.34 20.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -114.68 157.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -159.62 140.65 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 45.3 t80 -121.1 138.75 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.07 -29.08 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 130.41 -14.28 5.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 12.4 mt -105.43 -42.79 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 p -155.13 175.48 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.3 mt -109.95 106.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.442 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 61.4 m -113.89 115.8 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -119.27 145.53 46.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -146.24 140.76 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 51' ' ' ILE . 13.5 mt -124.82 112.87 27.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.2 tp -38.44 -37.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 t -53.97 -49.87 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.19 -49.65 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.1 mt -47.83 129.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 -44.72 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 t -166.76 133.25 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.01 134.6 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -140.97 161.65 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.85 145.61 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' NE2' ' HB2' ' A' ' 69' ' ' GLU . 8.7 mt-30 -149.5 138.77 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.83 -138.96 21.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -101.42 -65.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -120.9 42.33 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -137.91 165.24 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 14.2 p90 -140.4 160.39 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.414 ' HB2' ' NE2' ' A' ' 63' ' ' GLN . 20.6 tt0 -114.9 116.25 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -96.2 104.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.88 117.42 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -128.99 129.41 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' THR . 9.6 m -35.61 -55.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -47.74 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -170.92 111.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.7 m -40.37 135.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -117.57 177.19 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.22 122.1 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.557 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 33.1 m-85 -117.61 143.63 45.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -115.53 149.83 37.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 m -111.9 174.47 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -102.78 -24.1 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -142.33 159.99 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.74 -54.41 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -42.27 -47.21 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -53.18 -42.44 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -48.81 -62.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.83 -49.22 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -50.12 -68.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 68.4 m95 -41.97 -59.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.72 -68.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -37.89 -47.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.23 -53.21 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.0 mt -54.33 -57.65 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.98 -49.61 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -46.8 -40.84 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.17 87.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.41 -29.85 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.44 -56.92 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 60.58 41.77 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -74.98 168.1 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.78 92.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -103.35 168.21 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -67.2 146.01 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.47 52.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.7 5.02 51.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.14 163.28 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -166.71 141.02 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 p -148.94 132.13 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.49 166.11 35.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -60.55 121.52 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 mt -129.67 140.54 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.69 110.74 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -91.49 146.33 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp -94.02 90.85 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.476 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -70.17 -60.27 3.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.6 Cg_endo -69.78 160.94 47.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 60.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.93 20.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt 38.95 33.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -82.31 -22.27 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -167.11 -178.86 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -142.65 140.68 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -113.33 128.02 56.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 28' ' ' ARG . 26.5 ttmt -83.75 135.97 34.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -146.09 147.39 31.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -73.43 131.59 42.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 31' ' ' LYS . 99.6 t -125.33 153.51 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' N ' HG13 ' A' ' 30' ' ' VAL . 41.4 tttt -157.74 136.46 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -116.04 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -103.98 -41.96 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.34 -16.8 1.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 29.4 mt -108.88 -44.21 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -147.19 172.6 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -106.87 112.0 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -100.52 111.23 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 5.9 p90 -129.86 118.99 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.5 165.97 10.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -71.72 144.13 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -46.65 -46.48 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -82.24 152.12 26.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -69.04 127.6 33.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -132.33 163.1 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 mtp -130.87 147.11 52.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 61.91 40.45 12.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 t -122.23 150.62 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -132.03 146.58 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.3 79.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 tt -136.71 130.3 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.36 117.67 61.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.662 0.744 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 133.23 25.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.4 tp -53.36 -31.37 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -64.15 -40.65 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.93 81.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.7 mt -50.18 103.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -83.38 -46.9 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -155.86 155.95 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 t -128.08 141.28 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -149.38 168.97 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.422 HG13 ' CZ ' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -94.11 151.05 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -142.41 148.91 38.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 39.86 -149.27 0.14 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -101.34 127.23 48.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 54.76 35.09 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -137.66 166.79 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 2.2 p90 -156.01 159.77 39.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -120.0 120.82 37.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.34 108.07 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.52 132.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -130.31 139.49 50.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 m -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.424 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 92.2 mm-40 -83.88 -75.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 4.8 mpt_? -149.23 123.03 9.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 m -47.5 137.43 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -120.89 151.17 40.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.51 118.29 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 80.2 m-85 -113.76 137.0 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.52 142.26 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.36 177.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.12 -18.96 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -127.88 154.4 45.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.47 -51.98 44.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.77 -35.0 29.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.53 -50.77 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' CZ ' HG13 ' A' ' 62' ' ' VAL . 6.2 tmm_? -46.52 -53.95 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -66.98 -40.98 87.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -55.21 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -44.14 -61.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -44.98 -57.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -50.59 -51.87 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.0 mt -49.31 -45.98 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.18 -53.72 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -53.61 -37.38 62.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.12 -39.34 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.14 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.6 mt -84.61 -36.83 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -68.46 -32.56 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 t -65.76 -42.93 90.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -77.39 -26.1 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.9 t -129.88 102.76 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.62 156.93 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.0 m 46.74 43.46 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.3 t -91.47 176.97 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -57.06 114.99 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.4 m -84.62 137.82 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -95.95 -54.2 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.27 125.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.3 m -99.6 141.35 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.31 76.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.6 t -153.08 127.39 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.4 p -116.11 118.16 32.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -137.6 173.96 11.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.28 118.51 27.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.63 121.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.501 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -74.83 94.1 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -81.59 174.36 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.17 87.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -102.48 17.44 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.28 176.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG2' ' CE2' ' A' ' 90' ' ' TRP . 29.9 tptt -160.72 151.53 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -153.2 142.48 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.73 144.46 4.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -56.52 107.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD12 ' CZ2' ' A' ' 90' ' ' TRP . 19.5 mt -103.94 130.42 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -91.43 111.48 22.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -103.43 -175.14 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -121.64 90.33 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -66.01 -60.2 7.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.686 0.755 . . . . 0.0 110.842 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 18' ' ' SER . 54.5 Cg_endo -69.69 147.69 63.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.38 -39.36 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.86 -92.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.21 164.57 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -103.57 105.6 15.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtt -136.29 -177.56 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' CB ' ' NH2' ' A' ' 80' ' ' ARG . 11.1 m-85 -145.74 123.89 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -101.36 119.04 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -78.86 112.85 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -137.07 133.63 35.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -61.51 136.11 57.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 31' ' ' LYS . 74.6 t -129.76 142.04 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' HG13 ' A' ' 30' ' ' VAL . 25.1 tttt -144.19 123.47 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 25.1 t80 -103.66 126.97 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -111.87 18.58 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 90.63 -47.95 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.445 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt -71.75 -59.02 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 p -144.12 170.12 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.79 105.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.4 m -93.67 122.49 36.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.6 129.3 42.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -113.31 179.62 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.1 167.11 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -65.64 174.48 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -52.45 115.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -148.01 153.8 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -37.94 -45.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -133.72 175.14 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.14 140.31 52.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -107.7 120.38 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.83 153.17 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.78 110.18 0.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.2 tt -149.4 150.47 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.355 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mt -121.87 115.3 30.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 135.71 30.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.8 tp -53.04 -34.15 55.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.6 p -58.94 -39.28 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.01 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.9 mt -57.65 103.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -81.94 -52.11 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 t -153.28 153.76 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -125.31 139.77 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -141.17 150.1 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.42 149.85 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' HB2' ' N ' ' A' ' 68' ' ' PHE . 8.5 mm100 -131.67 141.38 49.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.08 -119.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -117.28 -53.7 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.66 46.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -148.05 170.42 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.423 ' N ' ' HB2' ' A' ' 63' ' ' GLN . 35.5 p90 -157.77 155.37 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 10.7 tt0 -108.03 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -105.74 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.29 139.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -144.48 168.56 19.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -61.94 -61.17 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.09 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -170.64 120.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.431 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 89.5 m -39.16 149.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.88 156.64 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.83 113.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 53.4 m-85 -109.05 158.72 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.465 ' NH2' ' CB ' ' A' ' 25' ' ' PHE . 49.1 ttp180 -133.03 141.34 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 m -104.79 176.24 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -98.24 -18.18 18.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -138.92 143.94 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.69 -41.11 66.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -56.69 -51.57 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -47.85 -39.36 18.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -49.88 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.81 -49.49 73.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -65.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.499 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 67.5 m95 -44.38 -58.27 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' SER . 39.5 mt -48.36 -71.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' ILE . 8.7 t -36.25 -53.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -51.41 -48.9 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.2 -57.46 11.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.69 -48.42 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.34 -44.51 65.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.82 -43.83 82.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.44 -42.23 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -53.56 -35.42 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -43.66 -40.22 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -43.91 -58.01 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.2 mt 51.83 49.53 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.1 t -52.69 130.31 32.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.7 m 46.75 30.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -139.61 153.98 47.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -139.25 126.1 20.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.01 151.81 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -121.97 117.92 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.9 p -153.28 151.82 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.43 83.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.27 6.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t -62.41 137.96 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.4 t -52.93 147.61 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -174.48 171.95 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -125.34 148.65 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.63 -73.24 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m 52.95 44.46 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -152.41 114.6 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.85 116.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -110.07 10.81 24.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.84 167.41 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 34.4 tttp -170.35 139.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t -144.52 154.04 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.72 151.03 5.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.64 103.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 90' ' ' TRP . 12.6 mt -103.27 143.07 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -86.34 99.39 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 22.5 tptp -97.81 147.72 24.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 24' ' ' MET . 24.8 tp -108.33 73.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.473 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -73.62 -61.19 1.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 110.848 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 54.1 Cg_endo -69.72 -177.79 2.03 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -110.61 131.27 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.92 159.03 23.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ARG . 8.5 pttm -69.66 114.47 7.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' LYS . 27.0 mmt180 36.22 45.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -111.96 114.51 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -112.1 164.58 13.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -128.11 135.57 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -74.21 110.75 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' NH1' ' CG ' ' A' ' 41' ' ' ASN . 6.3 mmm180 -128.56 145.03 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -88.33 117.1 27.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.48 142.11 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -143.52 130.88 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -108.59 128.94 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.86 -33.2 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.49 -13.21 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.21 -42.97 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 p -153.33 161.71 42.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.8 mt -96.87 109.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -100.42 112.88 25.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -119.67 122.86 42.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -115.34 -175.62 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' CG ' ' NH1' ' A' ' 28' ' ' ARG . 14.7 p-10 -151.65 163.2 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.05 91.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.28 119.72 9.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -103.44 -61.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.29 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 mtm -118.99 177.87 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -137.9 129.84 28.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 p -118.89 113.27 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -62.36 144.71 55.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.7 114.11 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.8 tt -149.9 141.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.3 mt -115.97 115.64 40.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.4 11.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.338 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 101' ' ' GLN . 4.1 tp -45.03 -32.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 p -60.76 -45.17 95.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.31 -48.5 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.9 mt -54.1 107.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -82.21 -47.17 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.9 t -158.95 163.62 36.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.3 t -131.46 139.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -140.69 146.21 37.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.46 147.42 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -111.11 151.24 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -37.36 -70.41 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.19 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.33 55.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -146.45 166.26 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 10.9 p90 -135.68 149.6 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -103.62 138.27 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t -120.85 101.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.3 137.27 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' THR . 19.1 p -114.38 -175.19 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' THR . 22.6 m -34.03 -52.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.14 -52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -179.85 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.7 m -138.77 145.68 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -112.89 164.2 13.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.13 133.22 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 45.0 m-85 -130.85 146.29 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -120.88 132.88 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.21 168.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -105.08 -25.15 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -120.53 167.51 12.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -77.59 -55.12 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -49.28 -42.45 41.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ARG . 75.7 mt-10 -51.08 -55.71 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' GLU . 7.4 ttm105 -34.39 -61.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -60.94 -48.25 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.02 -66.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.483 ' CE2' HD13 ' A' ' 14' ' ' LEU . 70.9 m95 -43.63 -60.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LEU . 74.3 mt -50.97 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' ILE . 7.4 t -37.18 -49.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 84.0 mt -57.13 -42.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' ILE . 65.6 mt -65.79 -64.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.7 mt -47.57 -49.62 26.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.65 -34.28 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.38 -18.74 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 mt -85.0 -33.51 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -68.7 -29.55 68.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -64.09 -44.35 92.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.454 ' CG ' HD22 ' A' ' 54' ' ' LEU . 15.2 mt-30 -42.11 -41.0 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -95.6 125.68 40.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.8 p -134.47 137.19 43.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 t -74.83 -49.76 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -48.88 125.92 11.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.4 m 54.54 51.48 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -64.04 129.99 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 53.18 44.46 30.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.049 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.3 t -108.88 115.54 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.97 148.47 18.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 132.17 22.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 m -90.5 104.5 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -67.75 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -61.31 142.74 56.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -48.17 150.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.62 -158.04 8.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.417 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -60.74 167.94 2.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -88.78 124.93 34.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.97 109.68 0.35 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.544 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -107.91 16.18 23.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.87 175.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HG2' ' CZ2' ' A' ' 90' ' ' TRP . 20.3 tttp -166.22 150.45 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.5 p -152.23 129.43 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.7 167.15 38.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.528 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 78.9 m95 -69.6 104.64 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD12 ' CZ2' ' A' ' 90' ' ' TRP . 84.4 mt -111.27 142.74 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.02 145.56 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -123.92 140.86 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.0 93.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.6 t -134.31 58.1 28.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 127.12 14.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -128.81 42.25 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.96 -90.05 0.57 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -77.01 -52.15 9.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -73.34 162.75 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.4 mmm -124.27 -57.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -105.98 162.04 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -136.04 124.3 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -74.16 122.94 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 27' ' ' LYS . 14.4 mmp_? -145.44 119.73 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -45.25 143.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 31' ' ' LYS . 61.0 t -141.42 145.21 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' N ' HG11 ' A' ' 30' ' ' VAL . 17.9 tptm -149.12 140.98 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 39.9 t80 -125.63 145.06 50.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -125.59 -41.07 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 153.96 -31.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.0 mt -87.25 -48.69 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.0 p -154.78 175.17 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.46 114.57 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.6 m -98.87 119.02 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 44.4 p90 -124.09 123.13 39.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 38' ' ' SER . 2.1 m-85 -119.86 168.59 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.3 169.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -103.39 -55.46 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -99.38 -43.23 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.21 84.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.86 94.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 mtt -143.62 169.94 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -89.29 40.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.7 m -54.56 117.45 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -89.26 83.91 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.457 ' HA3' ' CZ ' ' A' ' 39' ' ' TYR . . . -123.39 105.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.68 151.76 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 mt -126.53 112.76 23.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HG2' ' CB ' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.77 124.72 11.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.413 ' CD2' ' OE1' ' A' ' 101' ' ' GLN . 3.2 tp -46.1 -39.86 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.7 t -56.3 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' THR . . . -55.29 -47.44 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.7 mt -52.45 113.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -87.31 -55.86 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -149.88 169.68 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 61' ' ' ARG . 35.0 t -137.82 142.44 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' N ' HG11 ' A' ' 60' ' ' VAL . 8.1 ptm180 -151.07 130.67 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 26.3 m -67.61 130.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -125.68 146.71 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.51 -140.28 37.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.38 133.57 55.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 m120 47.8 42.76 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -147.56 162.32 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 43.7 p90 -150.49 156.35 41.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -110.16 121.4 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.4 t -100.64 93.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.43 135.76 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.3 p -103.5 179.09 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ALA . 1.9 t -39.66 -38.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -134.96 -62.75 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -69.23 177.24 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 97.8 m -139.21 132.33 29.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.29 171.39 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 79' ' ' PHE . 87.0 t -140.97 144.19 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 40.6 m-85 -140.82 163.57 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -138.6 136.48 36.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.72 177.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -111.65 -18.48 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -133.58 160.35 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.46 -54.76 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.73 -37.93 63.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -44.31 69.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -52.11 -59.5 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.37 -47.35 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.1 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.541 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 69.0 m95 -51.12 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.44 ' CD1' ' CG1' ' A' ' 62' ' ' VAL . 68.3 mt -47.16 -58.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -45.21 -49.66 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 77.7 mt -55.77 -51.7 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.41 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.5 mt -54.45 -48.18 72.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -51.46 -44.03 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.85 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 mt -50.67 -40.14 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -63.42 -44.38 94.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -62.12 -59.55 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.413 ' OE1' ' CD2' ' A' ' 54' ' ' LEU . 10.6 pt20 -52.76 -44.6 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' GLN . 7.4 t -36.66 -42.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.86 127.61 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.7 p 45.76 43.54 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.6 p -91.41 168.83 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -128.95 94.78 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 t -118.36 96.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -172.03 178.3 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.28 41.97 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.4 t 50.66 43.27 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 156.65 89.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 117.16 4.92 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.63 2.22 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -84.16 117.9 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.7 m -139.01 150.35 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -144.79 145.27 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -91.55 168.68 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.98 99.93 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -121.01 163.94 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -111.6 137.26 49.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.79 129.95 6.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -103.81 12.59 34.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.34 162.73 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 13.2 tttm -161.91 149.63 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -154.68 128.07 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.53 168.98 39.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CH2' ' ND2' ' A' ' 42' ' ' ASN . 97.6 m95 -76.29 107.17 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' HG13 ' A' ' 81' ' ' VAL . 51.5 mt -108.34 160.53 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.33 123.11 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -104.71 158.98 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 21.2 tp -100.34 78.27 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.1 t -60.1 -58.43 19.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.7 Cg_endo -69.78 141.68 45.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.7 141.36 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.17 60.75 2.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -156.28 136.58 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -77.21 76.93 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -167.58 131.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CZ ' HD12 ' A' ' 17' ' ' LEU . 2.8 m-85 -125.92 147.35 49.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -85.15 148.99 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -108.32 102.28 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -130.05 150.14 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -73.42 132.5 43.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -122.35 151.26 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -150.63 140.04 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CD2' HG21 ' A' ' 93' ' ' ILE . 19.7 t80 -118.91 125.15 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.29 1.58 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 99.14 -20.54 49.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.22 -41.36 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 p -153.08 163.34 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.0 mt -105.96 99.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -96.34 126.12 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -121.29 130.74 53.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 6.1 m-85 -118.06 -178.19 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -116.07 111.91 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' ND2' ' CH2' ' A' ' 13' ' ' TRP . 6.2 m-20 -54.75 106.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -173.83 159.45 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -78.97 68.96 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -157.32 153.31 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 mtp -98.83 92.48 5.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -146.02 116.52 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.6 p -123.52 101.66 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -155.67 107.23 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.13 90.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.5 tt -146.11 142.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -112.53 114.56 50.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 125.96 12.74 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -47.4 -32.71 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -60.34 -37.02 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.53 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.47 111.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -92.52 -31.07 15.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -170.13 151.5 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 39.9 t -123.01 142.41 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -142.01 142.99 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.43 149.69 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -107.11 148.44 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.2 13.11 16.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASN . 7.6 m-20 -132.57 64.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 35.88 37.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -140.43 176.22 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 12.8 p90 -150.98 143.21 24.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.28 134.01 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.34 107.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.8 124.8 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.0 p -133.13 163.86 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -56.6 -60.75 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -46.97 -66.79 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -167.09 150.53 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 98.6 m -61.04 134.73 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -113.53 169.46 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.3 t -145.88 113.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 61.1 m-85 -106.42 172.19 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -142.47 149.67 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 14' ' ' LEU . 1.2 m -122.62 173.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.06 -35.44 10.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -118.81 149.14 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.92 -46.57 90.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 68.8 mm-40 -51.54 -43.79 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.85 -43.87 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.12 -53.62 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.1 p30 -65.23 -45.22 85.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 14.8 t70 -52.99 -59.01 5.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.504 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 54.0 m95 -46.73 -65.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 94' ' ' LEU . 77.1 mt -48.91 -61.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -38.48 -42.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 32' ' ' PHE . 80.0 mt -66.43 -39.5 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 91' ' ' ILE . 42.0 mt -67.09 -54.45 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.07 -43.96 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -59.43 -41.65 90.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.49 73.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.69 -44.61 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -47.55 -26.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -73.9 -51.61 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.04 -3.24 24.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -92.01 93.57 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 104' ' ' THR . 33.5 mt -138.38 169.8 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 103' ' ' LEU . 12.0 t 32.16 41.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -99.57 172.9 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.7 56.8 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -168.68 162.0 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -105.92 91.98 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.71 89.76 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 m -65.09 122.88 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -106.17 145.69 15.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.57 65.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 p -72.76 103.17 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 m -116.7 -48.67 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.517 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -83.57 94.87 8.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -105.87 113.47 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.57 130.88 10.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -138.41 111.85 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -93.66 171.08 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.87 64.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -90.41 5.87 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.98 171.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 16.4 tttm -171.54 147.34 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p -150.28 145.46 26.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.61 161.35 24.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.34 118.58 9.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 73.2 mt -123.31 132.45 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.57 99.86 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -89.11 145.45 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 7.7 tt -104.37 72.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.496 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -71.18 -59.25 3.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 18' ' ' SER . 54.0 Cg_endo -69.74 160.68 48.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -126.9 154.52 44.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.89 -68.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.528 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -82.5 169.74 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' MET . 16.0 mmt85 -85.8 -43.21 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.3 mtt -35.33 127.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -93.09 176.25 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -117.56 120.13 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -81.72 118.05 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -144.56 133.9 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -62.17 140.26 58.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.2 t -134.61 136.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -140.86 152.39 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 44.2 t80 -128.27 147.69 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.49 -43.04 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 152.19 -21.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 9.6 mt -106.5 -41.71 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -154.36 167.67 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mt -106.02 116.0 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -95.86 113.08 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -117.21 125.49 51.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -114.3 168.88 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ASN . 4.0 m-80 -82.49 129.48 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASN . 2.1 p30 -34.8 -39.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -90.96 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 93.65 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -107.45 -56.93 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.1 mmt -45.51 -40.81 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -131.19 117.6 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.6 p -174.13 157.33 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -119.59 167.1 12.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 105.13 2.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.9 tt -145.18 143.83 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -110.89 113.02 55.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.727 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.72 12.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 20.0 tp -45.35 -31.92 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 p -62.07 -42.04 98.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.43 -45.39 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -55.55 98.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -80.68 -47.28 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -157.33 148.26 21.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.58 137.69 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.2 ptm85 -146.29 147.14 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -78.96 140.45 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.3 142.34 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.88 -154.13 43.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 66' ' ' ASN . 2.3 m-20 -105.14 130.19 53.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 47.47 37.61 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -142.86 163.6 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.2 p90 -151.16 156.83 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 4.6 tt0 -105.16 118.25 36.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -99.35 94.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.76 111.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.0 p -115.6 164.86 13.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 m -68.48 -44.79 74.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.86 -56.96 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.2 ptp180 -174.94 121.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' ARG . 28.3 m -34.91 141.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -121.52 135.72 55.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.92 127.17 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 35.9 m-85 -126.55 153.26 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -129.26 135.29 48.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -99.01 175.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.26 -31.87 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -131.39 145.34 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.9 tp10 -50.46 -57.52 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -37.84 -50.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' ARG . 52.9 mt-10 -53.51 -49.9 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' NH2' ' OE1' ' A' ' 84' ' ' GLU . 7.8 ttm180 -38.0 -54.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -66.86 -41.33 87.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -52.01 -64.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 77.8 m95 -45.98 -62.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.3 mt -47.91 -46.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 t -58.4 -48.76 79.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 90.2 mt -55.28 -44.56 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.52 -52.5 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.46 -49.83 69.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -52.28 -37.73 56.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.53 -53.79 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.76 -25.79 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -72.79 -30.02 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t -82.4 -44.72 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -79.78 -12.04 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -154.92 127.76 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 103' ' ' LEU . 5.4 mp -110.74 169.27 8.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.9 t -151.28 139.44 20.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 t -86.28 77.51 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -138.72 148.18 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -53.81 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.4 154.67 40.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.32 140.51 29.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 69.4 p -63.7 126.4 27.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.82 66.51 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 141.67 46.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -113.22 111.93 22.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -150.46 116.43 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -50.81 -53.84 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -99.4 114.65 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.17 165.71 12.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 p -98.85 109.18 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -123.44 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.8 130.58 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.446 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -120.6 5.46 10.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.79 163.52 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 27.8 tttp -168.16 140.67 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 p -141.58 121.34 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 163.99 34.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -78.96 99.05 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 mt -105.83 165.89 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD2' ' CD ' ' A' ' 80' ' ' ARG . 33.0 m-20 -98.88 144.12 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 91.98 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.02 70.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.489 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.2 t -75.12 -59.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.659 0.742 . . . . 0.0 110.827 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.7 Cg_endo -69.76 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -165.16 152.72 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.9 -123.6 6.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -71.72 -32.18 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.902 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 21.7 mtt180 -132.97 90.51 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ptp -101.04 -49.17 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.78 118.48 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -118.91 175.29 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -123.09 120.55 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -145.57 132.28 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 42.0 t-105 -61.62 142.33 57.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.6 t -127.83 150.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -156.67 127.21 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.422 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 20.0 t80 -105.65 138.56 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -120.08 -0.76 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 104.76 -35.58 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.47 -55.06 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.8 p -147.31 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.37 114.42 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -109.17 122.85 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -122.73 141.05 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CZ ' ' CD1' ' A' ' 29' ' ' TRP . 1.9 p90 -141.61 173.67 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -88.79 166.14 14.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -77.25 -13.52 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 7.9 tp10 -93.56 -53.59 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 16.8 ptpt 44.92 32.82 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -82.33 12.54 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.5 tpp -161.22 147.53 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -39.67 134.84 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.7 p -141.81 160.35 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -148.79 153.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.59 108.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 tt -150.49 147.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.1 mt -118.14 113.37 37.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.13 22.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.76 -41.18 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.4 t -52.5 -48.67 65.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.54 -49.54 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.6 mt -53.15 115.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 -55.72 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -155.29 144.01 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.73 139.26 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -132.15 161.06 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.37 135.99 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 64' ' ' GLY . 24.3 mt-30 -100.08 167.47 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -35.07 -89.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.86 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -73.5 66.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -144.43 172.18 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 34.7 p90 -153.34 160.14 42.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' CD ' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -118.74 142.0 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.2 t -114.28 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.94 133.11 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 p -139.31 171.13 14.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.3 m -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.73 -64.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.6 ptp180 -166.52 137.05 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.7 m -53.94 135.89 41.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 49.7 m-85 -113.67 162.8 15.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 ' CD ' ' A' ' 69' ' ' GLU . 22.9 t -127.35 127.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 64.9 m-85 -134.98 133.58 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.455 ' CD ' ' OD2' ' A' ' 15' ' ' ASP . 7.4 ptm180 -109.26 165.98 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 m -116.04 175.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -102.22 -19.17 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -146.06 164.15 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.43 -38.78 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 87' ' ' ARG . 16.5 mt-10 -56.98 -57.21 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 86' ' ' GLU . 46.7 ttp180 -35.32 -60.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.78 -39.31 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 90' ' ' TRP . 0.8 OUTLIER -64.99 -72.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.497 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 58.2 m95 -35.96 -42.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -74.06 -45.27 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' ASP . 22.7 m -59.88 -32.81 71.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.69 -57.01 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.23 -55.41 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -49.44 -53.4 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.09 -36.35 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.58 -15.11 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.24 -43.84 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -35.91 80.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -58.23 -40.68 82.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -47.84 -46.67 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 t -48.43 -54.96 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.55 155.94 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -46.43 144.18 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -172.47 163.45 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.51 41.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -111.97 138.92 47.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -95.22 86.35 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.2 163.13 28.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.5 p -143.75 145.41 32.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.37 146.2 9.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 177.48 5.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -127.02 169.12 13.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.0 t 66.29 42.92 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -150.72 138.67 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.9 p -131.57 94.0 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.95 154.93 9.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 p -159.14 109.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 113.64 2.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -117.15 7.2 12.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 m -142.5 167.58 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -162.32 138.66 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.8 p -143.66 117.71 9.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.17 -159.75 9.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.8 107.49 18.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 81' ' ' VAL . 52.0 mt -117.11 138.61 51.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.34 121.21 29.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 18' ' ' SER . 22.3 tptm -87.19 115.65 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 6.9 tt -61.07 75.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.611 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -85.76 -68.46 0.15 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.7 0.762 . . . . 0.0 110.871 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.8 Cg_endo -69.81 -169.51 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -124.22 104.94 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.47 169.72 32.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -94.55 68.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' PHE . 47.0 mtt180 -155.64 174.84 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' PHE . 5.0 mpp? -51.8 86.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CG ' ' HA ' ' A' ' 17' ' ' LEU . 10.2 m-85 -35.92 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -164.9 111.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -74.34 119.07 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -150.2 134.24 16.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -62.32 127.94 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -121.03 147.97 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -142.43 150.66 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 21.7 t80 -136.32 121.8 19.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -114.63 11.16 16.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 97.87 -44.76 1.78 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.52 -55.52 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 t -153.42 172.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.53 103.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.454 ' CA ' HG13 ' A' ' 51' ' ' ILE . 1.5 t -105.28 130.34 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.482 ' CE1' ' O ' ' A' ' 50' ' ' GLY . 2.5 p90 -117.25 134.21 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -127.96 174.41 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -110.87 137.82 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -50.67 -62.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' LYS . 45.5 mt-10 -49.85 146.59 4.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLU . 42.4 tttt -34.78 146.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -147.51 156.99 43.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.552 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 3.6 mpp? -132.85 127.18 33.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 46' ' ' MET . 17.1 p90 37.82 50.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -65.21 156.97 30.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -134.68 158.92 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 130.56 88.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.454 HG13 ' CA ' ' A' ' 38' ' ' SER . 3.9 tt -144.13 151.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mt -124.16 113.37 28.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.35 10.99 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -40.79 -42.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 p -48.3 -50.3 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.8 59.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.2 mt -50.73 105.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -84.28 -44.1 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -169.93 155.7 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.433 ' CG1' HG12 ' A' ' 91' ' ' ILE . 46.9 t -113.71 135.98 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -140.73 123.66 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -55.27 139.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' GLY . 20.1 tt0 -139.6 163.98 31.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 35.88 -154.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.2 136.34 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 39.17 38.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -136.52 164.76 27.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 16.4 p90 -146.91 146.97 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 8.0 tt0 -105.27 116.32 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -92.95 100.3 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -66.87 131.5 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.6 p -138.99 156.54 47.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 m -60.08 -53.51 56.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -55.63 -62.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 13.1 ptm180 -170.01 125.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 32.7 m -43.41 134.57 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 50.7 m-85 -118.5 142.28 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 t -111.93 140.6 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 13.4 m-85 -131.03 137.45 49.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.61 135.88 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG12 ' CD2' ' A' ' 14' ' ' LEU . 27.2 m -112.06 161.01 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -79.0 -18.18 54.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -143.63 145.68 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 87' ' ' ARG . 16.9 pt-20 -53.84 -53.65 49.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 10.3 mt-10 -36.23 -45.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.09 -43.47 98.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.2 tmm_? -54.68 -45.3 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.463 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -72.81 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.6 m-20 -58.86 -65.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -39.14 -52.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.433 HG12 ' CG1' ' A' ' 60' ' ' VAL . 87.5 mt -52.56 -63.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.3 t -45.77 -41.03 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.4 mt -64.37 -58.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.4 mt -50.28 -51.75 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.87 -52.97 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -46.91 -40.67 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.2 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.8 mt -58.55 -43.64 89.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -46.96 -38.27 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -59.11 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -44.93 -29.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.541 ' C ' ' CD2' ' A' ' 103' ' ' LEU . 14.5 m -77.35 175.17 10.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' A' ' 102' ' ' SER . 1.3 pt? 37.54 49.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.1 t -85.33 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.6 p -53.0 -34.83 58.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -80.5 169.26 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 m -54.87 127.06 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.21 176.22 9.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.96 113.84 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -140.16 176.09 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -163.65 85.3 0.11 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 175.81 7.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -154.82 179.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t 65.57 46.99 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 49.59 42.3 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.889 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -95.19 92.75 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.49 111.89 1.03 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -51.61 105.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -149.44 110.56 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.53 108.73 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -85.35 5.5 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.57 167.78 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HE2' ' CD1' ' A' ' 90' ' ' TRP . 30.0 tttp -164.85 139.3 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.2 p -151.52 119.96 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.97 168.51 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -71.39 110.01 5.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.8 mt -112.91 164.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -108.04 113.2 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.7 tptm -85.22 97.75 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 7.3 tt -62.67 74.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -74.08 -61.44 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 54.4 Cg_endo -69.79 -179.08 2.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.367 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -125.05 105.83 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.16 71.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 15.7 tttp -165.31 115.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' LYS . 15.5 ttm180 -36.24 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' PHE . 1.3 ptt? -96.33 74.44 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 22' ' ' LYS . 2.2 m-85 -35.6 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.722 ' NE2' HH12 ' A' ' 28' ' ' ARG . 6.1 tt0 -162.69 178.53 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.97 134.02 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.722 HH12 ' NE2' ' A' ' 26' ' ' GLN . 46.4 mtm-85 -161.59 131.37 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -63.96 135.41 56.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.1 144.56 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 82.6 tttt -146.97 157.61 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 25.8 t80 -132.12 141.89 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.37 -43.69 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 -9.48 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -120.12 -40.0 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -153.46 159.86 42.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 mt -98.38 117.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.424 ' CA ' HD13 ' A' ' 51' ' ' ILE . 5.8 p -105.68 117.2 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -122.4 131.26 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -124.7 156.44 37.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -92.14 170.18 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' C ' ' OD1' ' A' ' 42' ' ' ASN . 2.2 t30 -76.74 -47.27 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -51.92 140.1 20.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -39.61 143.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.97 111.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ttp -117.11 67.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 1.8 m-85 43.9 36.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 p -125.93 88.3 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -100.31 163.64 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.25 123.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.424 HD13 ' CA ' ' A' ' 38' ' ' SER . 2.4 tp -143.43 132.6 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -106.42 113.23 63.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.49 10.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 tp -45.69 -29.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -62.35 -44.27 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.32 73.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.22 117.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -98.36 -48.41 5.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 t -162.0 155.73 21.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.78 148.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -147.15 145.32 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -81.55 140.84 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.406 ' NE2' HG13 ' A' ' 78' ' ' VAL . 4.0 pt20 -133.61 162.66 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.17 -122.31 17.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.37 -46.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.91 33.69 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -129.93 167.03 18.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 3.6 p90 -150.61 161.66 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -119.49 132.52 55.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.76 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.11 116.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -117.06 149.59 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 73' ' ' THR . 7.7 m -60.56 -12.09 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -99.35 -70.3 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 44.4 mtt-85 -152.77 120.87 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.0 m -52.86 135.85 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' ARG . 13.0 m-85 -124.93 146.58 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' A' ' 63' ' ' GLN . 60.7 t -108.93 121.27 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 17.6 m-85 -114.84 132.34 56.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -112.94 142.44 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.17 167.91 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.29 -18.87 23.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -146.04 131.62 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -40.61 -55.79 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 22.4 tt0 -38.02 -50.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -52.57 -49.3 65.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -42.91 -60.22 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 2.6 t70 -61.93 -63.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.532 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 75.3 m95 -46.11 -53.04 11.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 52.4 mt -57.51 -49.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -54.83 -39.78 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.404 HG23 ' CD2' ' A' ' 32' ' ' PHE . 41.7 mt -68.83 -46.76 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.45 -52.9 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.02 -34.29 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -75.49 -16.93 60.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.58 -21.49 21.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.033 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.4 mt -82.62 -19.14 38.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -84.43 -28.92 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -74.48 -31.52 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -89.04 -10.15 48.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.4 t -71.91 -18.19 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.62 131.5 40.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.9 m -43.38 119.57 1.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -123.13 158.62 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 91.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.7 p -165.1 142.75 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -64.9 143.33 58.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -160.54 137.06 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.1 p -124.64 148.96 47.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.48 83.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 1.78 4.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.2 p -124.73 142.22 51.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -87.01 -47.36 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -68.12 92.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -157.67 119.37 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 -167.62 15.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -107.32 -43.94 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -78.3 144.04 36.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.13 48.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -112.23 12.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.01 170.3 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HE2' ' NE1' ' A' ' 90' ' ' TRP . 20.4 tttt -173.6 143.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -150.28 133.65 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.57 149.6 14.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.538 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 73.6 m95 -63.11 105.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 90' ' ' TRP . 27.5 mt -121.72 162.3 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.37 120.43 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -101.0 125.35 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -95.57 118.62 32.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.434 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.8 t 70.82 54.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 18' ' ' SER . 54.0 Cg_endo -69.75 -11.51 30.99 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.07 -59.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.32 -47.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 22' ' ' LYS . 8.7 tmtm? -170.34 118.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -174.88 157.26 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 ttp -60.4 171.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -46.51 100.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.15 102.26 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -46.3 129.93 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -159.22 133.06 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' C ' ' CD1' ' A' ' 29' ' ' TRP . 4.7 t-105 -69.01 129.43 39.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 92.5 t -111.38 138.17 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' N ' HG13 ' A' ' 30' ' ' VAL . 15.5 tttt -131.81 144.39 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.442 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 31.4 t80 -129.7 126.37 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.76 28.99 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 83.62 -48.62 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 mt -70.64 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -141.03 171.02 14.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 19.2 mt -103.13 108.35 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 3.0 t -101.16 114.82 29.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -108.15 138.17 44.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -126.13 178.64 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 46' ' ' MET . 23.5 p30 -118.84 174.87 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -48.5 176.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.58 89.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -164.95 174.11 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.14 41.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.412 ' HB2' ' ND2' ' A' ' 41' ' ' ASN . 5.3 mtp -62.94 -56.56 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -157.2 133.61 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -104.6 44.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.67 149.35 33.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.61 88.47 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 38' ' ' SER . 3.1 tp -141.98 139.45 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.69 112.07 48.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.15 14.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 101' ' ' GLN . 12.9 tp -46.72 -39.89 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -52.75 -47.7 67.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' SER . . . -49.29 -50.7 38.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt -47.7 91.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 53.0 m -76.48 -43.29 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.1 t -166.73 150.08 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.0 t -121.0 141.59 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -148.29 136.77 21.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -69.93 133.81 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -142.56 135.25 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.22 -154.97 51.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.54 130.35 49.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m120 45.67 42.24 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -146.79 161.88 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 15.4 p90 -144.03 173.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -121.78 130.97 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.3 t -115.4 102.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -75.91 130.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.7 p -138.46 165.87 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 m -59.86 -60.27 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -50.05 -63.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.1 137.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.7 m -57.01 141.49 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.73 166.61 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -131.42 117.97 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 39.8 m-85 -105.31 150.41 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -128.37 126.88 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -97.78 172.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.15 -21.64 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -143.76 158.61 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.75 -54.6 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -39.61 -54.03 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -49.92 -40.11 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -53.99 -55.76 24.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -65.14 -43.6 91.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.15 -60.91 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.499 ' CE2' HD12 ' A' ' 14' ' ' LEU . 67.7 m95 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.8 mt -50.21 -46.57 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -58.2 8.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.42 HG21 ' CD2' ' A' ' 32' ' ' PHE . 81.9 mt -45.22 -50.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.41 ' CD2' HD13 ' A' ' 37' ' ' ILE . 28.0 mt -55.53 -61.23 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 92.0 mt -49.74 -50.25 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -54.2 -44.11 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.41 75.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.51 -42.36 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -54.73 -45.97 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -52.41 -51.97 56.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.429 ' CG ' HD21 ' A' ' 54' ' ' LEU . 4.9 pt20 -72.52 -24.5 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -113.58 90.23 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -174.81 133.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.8 t -78.77 140.26 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 p -67.8 144.02 55.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -129.85 126.19 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.6 p -40.86 111.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -171.86 177.01 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.15 105.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t -55.56 101.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.74 125.97 31.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.88 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 p -173.6 126.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' GLY . 47.6 t -88.64 -50.2 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -153.38 153.53 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -150.69 166.47 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.36 81.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -68.62 -58.66 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -90.86 98.52 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.3 91.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -125.22 -4.04 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -132.63 166.42 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 34.5 tttp -173.3 142.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.5 p -149.08 131.27 15.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.7 -177.68 40.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.546 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 14.3 m95 -78.0 96.81 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -103.25 123.55 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 127.05 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -104.56 152.58 22.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tt -79.24 104.46 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -79.7 -66.19 0.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.692 0.758 . . . . 0.0 110.848 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.5 Cg_endo -69.77 137.74 36.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -36.71 -66.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.85 162.78 49.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -77.42 92.83 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -130.3 -55.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 mtp -128.31 151.27 49.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -115.41 146.06 41.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -112.64 126.21 55.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.546 ' CG ' ' CE3' ' A' ' 13' ' ' TRP . 10.3 tppt? -74.15 145.48 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.87 137.57 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.6 t-105 -79.33 106.11 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 13.2 t -109.96 140.57 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -143.01 132.27 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.404 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 19.1 t80 -104.48 121.2 42.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -99.12 -8.43 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 114.81 -36.79 3.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.03 -51.92 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.9 m -151.49 170.38 19.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 21.7 mt -102.44 113.6 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -107.56 131.2 54.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 1.5 p90 -114.19 167.28 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 2.1 m-85 -158.7 143.59 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -79.5 51.15 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 t30 43.83 37.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -156.27 139.69 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -79.48 86.24 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -123.34 143.83 49.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.2 mtt -78.73 -61.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -53.67 -176.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m 55.11 35.86 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -60.12 131.45 50.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.546 ' C ' ' CZ ' ' A' ' 39' ' ' TYR . . . -152.97 113.97 0.6 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.36 142.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.3 mt -105.71 113.2 64.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.717 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.14 44.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.406 HD21 ' CD ' ' A' ' 101' ' ' GLN . 4.7 tp -58.21 -37.37 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 p -54.96 -46.73 75.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -43.37 62.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.84 106.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -91.16 -35.07 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -168.29 146.62 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.56 139.92 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.64 169.51 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.97 150.41 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' GLY . 3.5 tp-100 -133.43 144.33 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 36.39 -134.88 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.55 124.74 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.6 35.25 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -142.2 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 25.4 p90 -150.69 153.94 36.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.72 136.63 52.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.11 113.12 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.171 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.22 109.02 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.0 p -118.43 156.62 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -54.3 -61.43 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -46.15 -60.46 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -173.24 135.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -56.11 134.37 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -110.82 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.6 139.54 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 24.8 m-85 -140.31 141.72 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -118.91 147.43 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 m -115.1 175.96 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -103.06 -38.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -116.64 142.91 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -50.45 -50.1 53.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' ARG . 23.6 mt-10 -50.19 -53.88 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' GLU . 11.6 ttm180 -36.24 -69.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -51.25 -51.69 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -46.44 -63.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.487 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 82.9 m95 -48.0 -59.54 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 54.1 mt -49.62 -66.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -42.95 -53.44 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.67 -57.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -50.5 -56.66 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.3 mt -51.29 -50.07 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -54.1 -43.2 70.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.35 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.2 -53.43 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -61.48 -31.18 71.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -60.49 -45.59 93.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.406 ' CD ' HD21 ' A' ' 54' ' ' LEU . 17.0 mt-30 -42.38 -36.56 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -103.79 99.52 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.55 175.49 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -121.2 26.79 8.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.5 m -140.26 173.52 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -89.36 120.0 30.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 m -74.3 125.11 27.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 109' ' ' ALA . 12.5 tt0 -103.17 141.52 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 108' ' ' GLN . . . -34.09 136.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.5 t -148.58 164.59 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -154.12 82.84 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.91 67.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.0 t -146.9 178.8 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.0 t -172.51 161.25 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -137.21 114.16 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -56.51 153.37 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.13 116.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m -102.09 90.47 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -117.08 106.3 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.49 62.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -88.11 17.06 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.52 154.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 22.5 tttm -157.64 135.56 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -148.63 141.68 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.15 -159.79 21.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -108.13 97.85 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.41 156.63 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.98 150.09 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.17 131.89 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 30.5 tp -98.8 77.85 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -68.23 -60.29 5.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.3 Cg_endo -69.77 151.07 68.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -113.5 151.76 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.63 -62.59 4.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -73.99 107.81 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -55.55 94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.6 ttm -162.77 130.5 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 17' ' ' LEU . 32.8 m-85 -111.03 -178.78 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -139.79 130.38 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -80.01 103.79 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 41' ' ' ASN . 15.1 mmt85 -124.63 125.35 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -66.49 123.6 20.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 26.3 t -115.36 150.82 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -151.86 126.47 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 21.0 t80 -100.44 133.61 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -112.88 9.09 18.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.52 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 93.47 -23.96 27.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.54 -48.47 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.4 m -151.22 164.76 35.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.531 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 48.0 mt -94.1 104.01 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -93.2 110.15 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -120.03 139.6 52.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -132.82 -175.27 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.467 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 1.2 p-10 -136.44 137.81 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -87.0 45.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -146.38 175.11 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -53.51 152.78 4.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -43.92 136.22 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mmm -140.73 174.4 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -86.6 116.26 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 p -165.95 165.86 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -62.19 -62.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.74 -56.97 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.9 tt -150.34 137.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 mt -102.6 114.59 65.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.24 35.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.324 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tp -55.48 -35.08 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.2 p -58.41 -41.84 85.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.22 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.49 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 t -74.43 -42.63 58.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -162.79 136.7 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -111.93 142.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.6 ptm85 -149.07 157.45 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.1 m -83.35 147.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . 84.5 mt-30 -110.98 147.51 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.71 -71.99 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.96 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -76.02 52.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -145.15 172.28 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.9 p90 -133.9 156.87 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.92 132.63 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.8 t -118.44 97.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.94 121.75 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 75.6 p -115.42 -178.77 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -82.58 -26.02 32.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.45 ' N ' HG22 ' A' ' 73' ' ' THR . 9.7 mt-30 -92.7 -66.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 6.2 ptm180 -154.6 123.26 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.8 m -44.5 137.3 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.45 147.46 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.01 107.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 56.0 m-85 -103.47 144.23 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -117.29 146.42 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.7 m -109.99 175.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -99.96 -21.84 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -137.68 144.4 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -49.74 -41.07 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.09 -58.82 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.76 -38.35 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -49.48 -59.25 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.58 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.95 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.488 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 62.6 m95 -39.51 -62.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 92' ' ' SER . 75.6 mt -43.97 -67.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' ILE . 23.4 m -35.58 -58.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.87 -51.78 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.92 -52.53 65.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.2 mt -52.25 -44.09 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 18.0 t-20 -66.18 -38.0 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -28.04 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.8 mt -72.68 -45.64 57.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 ptpp? -69.61 -37.33 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 m -50.76 -43.19 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -45.3 -48.41 13.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -56.84 -52.14 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' SER . 36.2 mt -57.3 135.73 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' SER . 5.7 t 37.67 29.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' LEU . 56.7 p -34.74 133.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -155.77 176.3 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.2 p -130.42 114.32 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -142.85 143.98 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.513 ' N ' ' CD ' ' A' ' 108' ' ' GLN . . . -129.61 120.01 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -100.03 152.16 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 112' ' ' PRO . . . -93.28 106.68 3.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.77 178.54 4.47 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.0 p -137.82 149.34 46.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.7 p -122.87 27.38 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -143.9 171.06 14.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 113.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 m -127.43 123.92 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -93.45 105.83 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.6 134.82 5.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -101.12 6.12 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 m -134.42 177.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 23.3 tttp -163.32 138.1 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -147.6 120.23 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 29' ' ' TRP . . . -171.03 164.27 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.425 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 91.1 m95 -63.71 110.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.4 mt -109.22 127.71 54.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.43 115.14 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -111.27 145.79 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -87.01 71.58 10.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -63.3 -60.34 9.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.5 Cg_endo -69.76 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -95.81 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.95 75.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -115.24 -58.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -99.63 -68.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 tpt -167.2 154.8 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -47.38 161.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' OE1' ' NH2' ' A' ' 28' ' ' ARG . 26.0 mt-30 -92.77 165.77 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 29.7 tttm -111.13 85.99 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 28.7 mmt85 -110.3 147.05 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.1 t-105 -81.79 141.91 33.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.8 t -132.79 147.58 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 31' ' ' LYS . 8.0 tmtt? -149.75 144.47 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -126.77 134.53 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.98 -30.93 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.26 4.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.2 mt -111.34 -45.53 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 p -149.12 163.05 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.68 106.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 p -94.03 120.76 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 46.1 p90 -123.76 126.18 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -139.46 -175.19 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -100.51 105.4 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.13 -31.65 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.04 -70.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -86.14 86.68 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.56 44.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.5 mmt -84.2 176.57 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.4 p90 -61.16 127.93 33.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -173.23 159.54 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -114.35 144.07 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 39' ' ' TYR . . . 174.25 66.81 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 tt -129.06 133.79 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mt -109.37 116.91 54.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 131.14 20.53 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HG ' ' NE2' ' A' ' 101' ' ' GLN . 12.5 tp -48.19 -31.38 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -64.12 -42.54 96.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.0 79.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 85.2 mt -54.05 92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 m -67.59 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 t -170.7 155.95 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -124.25 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -150.84 138.21 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -60.28 133.26 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.9 119.97 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.89 -167.52 38.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.99 115.67 28.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 55.97 45.08 24.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -143.84 170.72 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 31.0 p90 -154.63 145.0 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -105.74 121.42 43.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.59 111.39 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 127.99 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.6 p -130.77 172.42 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -63.32 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -44.32 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -165.51 142.13 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 68.9 m -52.58 142.11 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.25 161.14 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.89 122.33 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 62.5 m-85 -122.39 137.38 54.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -116.05 157.17 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.21 165.57 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.05 -12.17 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -143.77 143.32 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -56.65 -50.4 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 19.0 mt-10 -47.06 -42.53 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -44.15 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.66 -65.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 1.2 p30 -50.41 -40.84 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.34 -55.91 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.469 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 68.6 m95 -51.36 -60.77 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.4 mt -50.03 -49.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m -51.65 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 57.0 mt -56.5 -53.95 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.18 -54.92 24.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.88 -43.71 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.75 -44.1 81.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.3 90.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.01 -39.12 65.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -57.56 -20.74 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -78.65 -50.91 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.407 ' NE2' ' HG ' ' A' ' 54' ' ' LEU . 33.4 mt-30 -56.69 -17.29 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.3 m -97.33 55.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 40.2 mt -136.3 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.0 m -68.97 87.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -150.75 166.56 30.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -110.67 87.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -100.88 109.12 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -134.2 139.95 46.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.68 -66.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 t 67.07 29.74 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.31 146.93 10.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.37 30.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.3 p -166.11 179.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -91.51 164.53 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -151.31 129.92 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -64.96 153.61 40.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.06 -155.61 0.45 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -173.28 132.15 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -138.81 138.0 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.91 124.85 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 12.85 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.09 168.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 34.7 tptt -161.93 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -157.47 120.87 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.0 169.36 38.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -82.84 91.0 6.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 13.2 mt -102.05 149.19 24.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' A' ' 26' ' ' GLN . 7.1 t0 -88.99 130.72 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 1.5 mmmp? -84.71 143.99 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.4 93.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.8 p -134.33 58.45 30.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.67 7.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -92.78 -40.16 10.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.8 -77.1 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' CG ' ' HG3' ' A' ' 26' ' ' GLN . 9.4 mmtm -60.17 176.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.728 0.299 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -71.4 -54.13 11.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.512 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ptm -115.22 -47.17 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' A' ' 24' ' ' MET . 74.1 m-85 -160.17 -179.85 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.462 ' HG3' ' CG ' ' A' ' 22' ' ' LYS . 51.8 mt-30 -124.69 89.31 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -52.15 126.2 17.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -151.94 162.48 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -85.28 144.65 27.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 31' ' ' LYS . 62.1 t -136.2 138.61 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' N ' HG12 ' A' ' 30' ' ' VAL . 17.0 tptm -137.39 129.15 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.545 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 33.2 t80 -113.72 126.89 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -115.37 25.71 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 84.88 -46.56 3.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.42 -59.41 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 p -150.04 171.08 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -104.47 103.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 118.84 36.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CE2' ' HE3' ' A' ' 16' ' ' LYS . 47.7 p90 -113.57 133.26 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.47 169.96 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.53 172.05 10.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -82.14 110.28 17.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.02 157.62 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 33.8 tttm -61.29 166.47 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt-20 -37.18 124.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.3 ttm -171.41 151.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -121.93 116.8 25.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 p -135.47 178.01 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -98.86 142.72 30.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.52 67.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 tt -140.88 141.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.96 112.11 53.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.4 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 HD22 ' CG ' ' A' ' 101' ' ' GLN . 5.1 tp -37.59 -43.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -46.22 -47.47 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.81 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -52.82 126.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -108.55 -48.8 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -154.51 145.17 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.3 t -116.59 136.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.27 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 m -90.67 138.03 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -151.61 129.55 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.63 -177.02 54.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 66' ' ' ASN . 13.6 t70 -77.11 117.93 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 65' ' ' ASP . 28.5 m-80 49.3 44.64 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -141.77 164.41 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -144.98 157.16 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 15.8 tt0 -108.63 120.87 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -95.78 100.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 72' ' ' THR . 59.0 t -71.09 145.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.423 ' N ' HG11 ' A' ' 71' ' ' VAL . 60.9 p -152.14 174.31 13.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -76.2 -44.49 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -64.3 -58.99 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 ptp180 -172.49 131.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.449 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 42.1 m -51.15 134.59 26.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 81.8 m-85 -114.08 176.46 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.33 140.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.22 153.51 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -124.92 137.22 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.09 177.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -106.73 -17.25 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -138.52 148.99 44.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.75 -47.49 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.86 -50.46 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -45.91 -54.24 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -41.61 -58.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.63 -50.5 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD2' ' CE ' ' A' ' 10' ' ' LYS . 4.7 t70 -51.68 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 90.8 m95 -40.87 -57.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.1 mt -52.32 -62.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -46.27 -43.81 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 43.3 mt -59.33 -56.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.6 mt -52.64 -59.29 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.2 mt -51.2 -35.3 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.41 -31.18 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . . . -68.68 -46.4 69.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.91 -48.17 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -51.16 -48.52 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 t -45.18 -45.8 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.437 ' CG ' HD22 ' A' ' 54' ' ' LEU . 25.6 mt-30 -43.4 -44.33 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.0 t -75.34 108.55 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' THR . 95.0 mt -128.72 176.24 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' LEU . 14.9 t 34.77 40.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.2 t -105.84 153.12 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -41.68 156.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -50.84 104.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' ALA . 23.3 tt0 -145.04 157.47 44.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' GLN . . . -35.12 125.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 p -158.97 164.23 35.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -142.85 144.31 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -174.39 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.1 p -167.16 159.77 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.5 m -163.34 161.76 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -172.0 155.96 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -98.0 -27.14 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.22 129.16 2.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -126.45 110.4 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 m -128.92 106.95 9.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 107.91 1.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -83.24 8.35 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.75 175.4 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.2 tttm -170.51 140.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.8 p -144.18 128.63 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.13 148.92 13.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -60.06 113.43 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD12 ' CZ2' ' A' ' 90' ' ' TRP . 86.7 mt -118.24 170.02 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 17.3 m-20 -109.4 149.2 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -113.78 105.27 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.3 tp -46.31 101.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -134.44 58.44 29.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.93 9.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.634 2.223 . . . . 0.0 112.377 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.9 104.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.17 -51.79 4.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -124.18 116.66 23.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -68.97 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 mmm -147.08 165.81 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -107.06 136.32 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -107.94 119.76 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.14 148.58 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -163.61 133.79 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.05 121.81 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -115.78 146.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -146.57 142.15 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -128.51 139.58 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.57 -42.53 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.87 -21.75 0.6 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp -97.44 -50.88 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 p -154.0 165.86 34.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.35 118.62 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 m -111.64 120.96 43.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -116.65 140.29 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.1 147.9 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.41 112.93 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.71 -53.76 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.82 -49.18 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -44.35 -48.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.49 173.5 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttm -82.16 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.23 127.96 36.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -102.57 158.14 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.02 142.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.31 137.52 4.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.5 149.83 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.101 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -117.6 112.86 38.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 tp -59.04 -33.42 70.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.0 p -63.13 -36.6 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.85 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.13 93.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -69.64 -48.99 57.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -162.7 147.28 11.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.404 ' CG1' HG12 ' A' ' 91' ' ' ILE . 60.5 t -110.84 136.66 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . 3.0 ptp180 -146.92 121.75 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 31.3 m -66.03 153.3 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 64' ' ' GLY . 18.8 tt0 -112.26 163.19 14.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -36.11 -77.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.37 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 67.8 m-20 -76.39 50.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -136.48 170.29 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 33.9 p90 -139.0 162.04 35.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -115.48 120.68 40.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -98.94 101.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.43 118.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.7 p -113.81 174.66 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.1 m -74.94 -27.81 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.428 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 35.4 mm-40 -83.82 -75.67 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -145.87 122.26 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.1 m -48.0 127.97 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -109.22 163.79 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.4 t -133.23 121.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 31.4 m-85 -109.65 159.14 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.445 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 48.0 ttp85 -129.12 148.1 51.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 66' ' ' ASN . 11.1 m -118.09 173.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.64 -27.34 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -127.14 163.88 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.56 -46.93 71.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -58.95 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -46.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -58.1 -52.01 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -57.54 -42.17 82.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.43 -58.65 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.465 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 69.7 m95 -46.12 -62.02 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 62' ' ' VAL . 87.1 mt -50.29 -58.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -42.44 -46.25 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 76.9 mt -64.12 -44.02 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.76 -58.46 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.87 -33.69 37.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.36 -29.88 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.86 -34.37 60.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.92 -53.26 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -52.8 -35.43 56.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -61.32 -46.53 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -77.93 -27.4 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 m -133.52 102.84 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.17 146.45 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 77.0 p -69.76 130.89 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -63.47 167.88 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -82.44 44.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' GLN . 1.8 t -111.59 176.59 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' SER . 32.5 tt0 -38.29 123.52 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.36 178.23 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 111' ' ' GLY . 7.4 m -117.59 -50.17 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 110' ' ' SER . . . 34.85 79.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.7 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 p -172.84 177.61 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -150.11 129.87 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -153.0 154.04 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -122.82 106.85 11.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.8 -101.08 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p 44.16 42.42 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -113.54 115.68 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.59 107.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -74.7 -4.31 36.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.81 170.95 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 26.0 tttp -164.69 141.02 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -152.4 132.63 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 -134.09 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -122.32 99.63 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 53.8 mt -103.78 123.65 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.27 118.36 30.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 35.1 ttpt -122.85 153.38 39.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.411 HD22 ' C ' ' A' ' 24' ' ' MET . 1.8 mt -76.13 129.61 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -75.58 -62.94 0.72 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.9 Cg_endo -69.81 -165.92 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -120.81 -49.84 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.56 -49.62 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -61.66 164.93 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.27 29.45 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.411 ' C ' HD22 ' A' ' 17' ' ' LEU . 2.8 ttt -82.34 116.26 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -86.28 126.85 34.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 4.9 tp60 -101.51 147.4 26.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 35.1 tttt -99.44 127.69 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -150.74 138.02 19.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -72.19 135.17 46.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 31' ' ' LYS . 21.6 t -124.59 160.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 22.8 tttp -158.19 148.38 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 23.4 t80 -124.88 132.99 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.13 4.29 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 101.47 -37.37 3.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.31 -58.37 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -142.72 155.01 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -88.9 104.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.9 p -94.0 120.45 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -122.39 142.34 50.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -129.04 167.59 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -112.48 154.38 25.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -87.47 -61.35 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -50.98 151.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -50.17 126.94 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -151.46 146.63 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' TYR . 31.5 mtt -76.3 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 15.5 p90 -37.6 110.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -138.43 141.6 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -54.3 135.29 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.02 68.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.5 tt -143.02 138.06 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.3 mt -108.34 115.46 58.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.12 20.55 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 tp -47.5 -31.23 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -65.48 -38.83 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.77 83.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.31 126.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -102.97 -49.59 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 t -163.24 145.79 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.31 139.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -147.79 147.79 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 91' ' ' ILE . 33.1 m -75.09 135.88 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -148.18 118.49 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.89 -179.08 51.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.31 120.28 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 52.19 48.56 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -148.09 163.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 11.7 p90 -152.07 151.29 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -107.94 119.34 39.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.45 94.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 t -73.82 122.0 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -114.38 -175.28 2.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -72.87 124.94 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 49.55 24.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -172.44 165.6 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 97.2 m -146.68 130.51 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -109.76 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.0 t -106.49 117.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 30.2 m-85 -110.5 161.88 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -137.32 140.2 41.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -107.32 176.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -104.44 -34.14 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -120.42 153.5 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.91 -58.43 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -41.58 -51.82 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -48.93 -41.98 35.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -52.18 -61.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.4 p30 -57.47 -50.35 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -48.66 -55.3 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -52.09 -59.25 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.435 ' CD1' HG12 ' A' ' 62' ' ' VAL . 53.5 mt -52.89 -63.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -40.17 -55.51 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 81.2 mt -50.92 -48.25 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.38 -53.27 59.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.8 mt -54.84 -35.32 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -70.42 -39.32 74.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.38 -14.88 60.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.7 -57.2 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -45.81 -36.67 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -59.99 -37.56 80.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -92.39 -2.39 56.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -115.02 46.05 1.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.47 161.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.2 m -41.81 -45.24 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.4 p -42.59 137.45 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -46.31 120.05 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.9 p -139.47 112.37 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.85 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.67 148.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -104.37 124.43 49.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -177.23 82.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -115.11 159.28 21.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -90.32 -53.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -154.44 148.23 25.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 110.797 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -143.74 153.68 42.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.16 92.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -81.06 43.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -69.82 124.52 24.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.38 125.17 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -105.19 21.69 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.19 -175.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 25.8 tttp -170.67 137.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -149.18 123.94 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.65 176.06 44.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 92.2 m95 -72.52 111.69 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 mt -120.28 131.75 55.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.94 108.47 7.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -89.59 156.41 18.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.85 152.08 46.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -134.97 58.79 30.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 171.13 14.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 52.84 39.11 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.62 160.48 34.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -60.84 -48.85 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -46.41 163.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 29.7 mtm -104.38 -46.81 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -152.14 145.16 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.437 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 25.0 mt-30 -106.74 129.61 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 32.5 tttm -92.48 94.88 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' NE ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -118.41 153.9 33.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -76.86 129.86 36.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 31' ' ' LYS . 88.6 t -116.97 143.0 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 30' ' ' VAL . 1.4 tmtp? -140.19 142.32 35.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 27.5 t80 -132.97 128.23 35.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' HB2' ' CE ' ' A' ' 31' ' ' LYS . 29.9 t0 -120.05 29.79 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.551 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 81.35 -36.72 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.91 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.8 m -143.28 172.67 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -108.15 109.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -104.55 116.62 32.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -110.24 121.23 44.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.03 170.8 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 8.1 p-10 -119.67 139.21 52.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' GLU . 55.9 t-20 -48.96 -59.71 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ASN . 16.2 tt0 -36.25 -59.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -82.83 153.83 24.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.49 121.26 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.567 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 4.1 mmt 58.88 47.85 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 46' ' ' MET . 11.5 m-85 -163.79 118.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.1 p -154.91 139.39 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.86 41.96 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.21 122.03 1.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 tt -148.6 146.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mt -115.78 111.68 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD23 ' CD ' ' A' ' 101' ' ' GLN . 7.6 tp -39.67 -38.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -52.12 -47.04 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.33 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.0 mt -52.8 106.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -87.95 -41.75 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -168.05 158.88 10.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -137.77 144.94 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -152.34 153.84 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 91' ' ' ILE . 31.6 m -73.86 124.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' O ' ' C ' ' A' ' 64' ' ' GLY . 11.5 tt0 -99.75 117.64 34.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 31.12 -99.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -75.29 48.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -126.29 176.46 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 46.3 p90 -148.1 144.87 28.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 12.2 tt0 -100.55 113.88 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.9 t -90.99 99.8 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.74 134.88 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.7 p -145.5 159.61 42.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.3 m -63.69 -46.99 83.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.73 -65.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' THR . 13.5 ptm180 -171.6 120.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 87.5 m -35.43 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.46 ' N ' HG21 ' A' ' 76' ' ' THR . 96.2 m-85 -120.42 164.47 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 77' ' ' PHE . 41.5 t -137.02 135.3 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 57.0 m-85 -132.54 156.54 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.32 144.56 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -101.82 175.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -108.15 -20.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.55 155.43 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -57.58 -43.86 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.15 -53.07 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -45.11 -43.89 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -49.92 -44.04 50.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -81.31 -40.85 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.53 -61.98 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 86.0 m95 -47.82 -62.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 62' ' ' VAL . 64.4 mt -51.05 -48.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 t -55.14 -41.87 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 83.1 mt -66.62 -45.58 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.77 -54.46 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.29 -36.94 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.86 -34.27 62.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.1 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.82 -47.55 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.54 -44.61 72.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.8 t -44.41 -45.3 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.403 ' CD ' HD23 ' A' ' 54' ' ' LEU . 31.8 mt-30 -47.03 -48.01 22.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.1 t -132.32 115.65 15.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -138.07 166.81 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.4 t -94.13 143.02 26.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.7 p -62.28 123.18 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -133.7 178.87 6.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -81.02 171.78 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -160.61 140.03 10.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -141.4 134.53 29.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.6 p -101.88 131.39 48.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -118.13 156.93 15.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -177.46 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.2 p -125.95 147.33 49.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -167.41 131.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -78.22 -50.48 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m 51.96 42.51 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 46.88 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -132.63 137.69 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -104.8 161.73 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.81 111.58 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -87.13 17.44 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.46 173.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.5 tttm -166.32 141.36 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -151.76 147.44 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.88 159.58 21.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 41' ' ' ASN . 91.9 m95 -70.03 107.12 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -117.33 141.19 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -72.94 125.53 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 20.5 tptm -116.09 147.53 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 4.5 pp -84.38 31.48 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.441 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 89.4 p -129.02 54.47 14.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 18' ' ' SER . 53.4 Cg_endo -69.73 -165.31 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.15 90.67 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.0 -84.07 0.85 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -52.34 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -133.92 101.77 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.8 tpt -174.51 154.93 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.62 121.81 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -128.08 -75.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -175.12 117.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -151.05 129.06 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -71.63 150.88 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 37' ' ' ILE . 56.9 t -145.54 129.52 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -132.12 145.26 51.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -124.49 137.26 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.59 -38.44 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.64 -26.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -97.78 -49.04 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.8 p -150.33 170.97 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.441 ' CG2' HG11 ' A' ' 30' ' ' VAL . 18.0 mt -110.02 119.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 m -101.39 124.47 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CE1' ' C ' ' A' ' 50' ' ' GLY . 24.7 p90 -119.04 138.11 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' ASN . 2.0 p90 -164.28 106.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.572 ' O ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 p-10 -34.35 -62.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -133.38 -58.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -163.87 163.86 23.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -170.36 159.71 7.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -44.93 161.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.1 mmm -92.39 44.66 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -144.2 123.59 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t 55.12 46.54 23.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -72.95 132.46 43.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.536 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . -43.33 110.99 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 tt -150.65 139.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.101 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mt -116.7 112.41 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.76 119.2 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.6 tp -37.57 -42.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -51.97 -47.02 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.73 -46.6 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.09 112.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -87.76 -49.21 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -151.74 164.24 37.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -138.62 129.44 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.91 170.18 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 91' ' ' ILE . 35.6 m -98.52 145.22 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' GLY . 7.2 tt0 -105.27 160.1 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.15 -69.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.69 -176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -76.62 50.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -142.53 175.1 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 6.0 p90 -137.33 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -118.05 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -91.45 92.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.11 126.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' THR . 2.4 p -137.31 129.29 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . 55.8 m -33.96 -56.12 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -49.68 -72.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -161.45 121.85 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.5 m -45.86 142.29 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.405 ' C ' HG22 ' A' ' 78' ' ' VAL . 62.8 m-85 -127.79 170.25 12.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.405 HG22 ' C ' ' A' ' 77' ' ' PHE . 34.5 t -135.43 136.97 50.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 40.9 m-85 -130.02 135.78 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -112.0 139.84 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 m -104.58 177.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.8 -22.85 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -136.29 145.08 45.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -52.13 -41.52 62.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 15.9 tt0 -58.83 -43.99 90.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.33 -43.67 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -53.92 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 2.0 p30 -54.92 -36.5 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -58.79 -50.97 71.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 79.9 m95 -60.72 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.425 ' CD1' HG13 ' A' ' 62' ' ' VAL . 71.2 mt -48.85 -40.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.3 t -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 70.5 mt -67.52 -46.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.22 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.9 mt -52.04 -33.66 39.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -79.53 -19.31 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.57 -29.71 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.8 -53.19 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -52.38 -32.64 39.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -62.12 -54.46 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.07 -30.43 71.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -46.51 -42.45 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 104' ' ' THR . 1.3 pp -65.69 128.32 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 103' ' ' LEU . 3.7 t -34.35 126.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -169.71 142.88 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -85.01 121.66 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.1 m -142.82 163.09 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -93.3 118.14 30.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -134.81 172.94 12.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -155.75 168.15 28.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -142.81 79.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 123.06 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -76.84 133.18 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.1 p 43.75 42.12 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -48.03 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -137.67 140.42 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.48 -156.02 5.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.435 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -132.36 140.05 48.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 m -107.26 139.23 42.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.48 129.13 6.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -108.65 21.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.01 175.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG2' ' CE2' ' A' ' 90' ' ' TRP . 23.2 tptt -160.09 152.94 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 p -158.23 125.64 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 138.17 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -50.37 112.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD12 ' CZ2' ' A' ' 90' ' ' TRP . 68.4 mt -109.33 141.12 42.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.26 97.45 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 28.6 tttm -104.54 148.09 26.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 32.8 tp -93.59 100.52 12.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.576 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -84.52 -67.04 0.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 54.1 Cg_endo -69.77 -175.98 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -88.1 137.81 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.75 132.56 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.72 -44.78 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -77.6 46.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.6 ptp -169.5 139.67 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -139.68 159.92 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 99.9 7.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.72 123.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 18' ' ' SER . 16.9 mtm180 -147.59 134.02 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 2.3 t-105 -73.99 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -112.69 148.01 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -146.38 132.03 18.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 47.3 t80 -123.42 124.93 44.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -109.25 21.48 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.536 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 91.68 -38.2 3.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -62.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 17.6 m -144.59 175.63 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.4 mt -111.71 108.44 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.414 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 40.2 m -109.62 114.04 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -105.32 159.28 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -131.62 172.65 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -112.15 143.29 43.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -38.93 -54.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -63.32 168.58 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -48.62 149.76 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -71.9 105.91 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 mtt -89.34 171.11 9.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' SER . 32.3 p90 -44.82 -44.26 9.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 47' ' ' TYR . 6.6 m -36.2 118.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -107.5 143.42 35.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.74 102.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 0.0 OUTLIER -137.35 139.02 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 51' ' ' ILE . 22.4 mt -109.28 111.19 60.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 142.05 46.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.64 -39.56 73.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 t -53.33 -46.56 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.43 -48.26 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 94' ' ' LEU . 81.2 mt -50.8 92.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -78.03 -44.99 24.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.1 t -166.19 139.41 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.53 144.91 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 2.2 ptm85 -141.12 121.38 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 91' ' ' ILE . 31.4 m -50.24 153.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 67' ' ' LYS . 13.5 mm100 -111.03 178.36 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -32.55 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASN . 1.6 m-20 -134.57 145.57 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ASP . 24.7 m-80 35.63 44.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 63' ' ' GLN . 8.1 mtmp? -148.29 176.69 10.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 21.0 p90 -167.32 152.56 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' CD ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -111.77 128.5 56.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -106.72 99.94 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.6 126.88 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.9 p -131.25 158.48 40.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.1 m -58.87 -48.77 80.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.33 -62.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.6 ptt180 -172.9 116.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 77' ' ' PHE . 43.7 m -37.06 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.43 ' N ' HG21 ' A' ' 76' ' ' THR . 66.7 m-85 -120.05 138.85 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.406 HG21 ' CD ' ' A' ' 69' ' ' GLU . 60.6 t -97.04 131.87 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.406 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 m-85 -128.33 158.4 38.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -136.91 131.35 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 87' ' ' ARG . 13.0 m -95.05 173.83 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -102.4 -26.67 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -128.37 153.17 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -58.96 -46.52 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.34 -47.52 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -55.78 -49.06 74.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' HB2' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.13 -46.59 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.3 -52.51 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -46.7 -60.45 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.449 ' CE2' ' HG2' ' A' ' 10' ' ' LYS . 60.5 m95 -42.73 -56.94 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.466 ' CD1' HG13 ' A' ' 62' ' ' VAL . 77.6 mt -51.23 -62.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -42.81 -55.33 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.5 mt -44.14 -60.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 ' CD2' HD11 ' A' ' 57' ' ' ILE . 29.6 mt -47.66 -57.13 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 65.5 mt -50.84 -47.9 60.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -58.35 -39.88 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.92 -57.76 11.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.3 mt -38.77 -46.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.53 -50.89 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.4 t -42.99 -46.28 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -56.75 -51.46 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t -38.69 -52.46 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt 61.8 41.67 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.4 m -47.18 -61.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.5 p -51.6 118.75 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -52.84 121.46 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 m -164.8 128.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -65.44 141.02 58.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.77 151.0 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 t -143.64 135.58 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.19 80.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.78 2.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.666 2.244 . . . . 0.0 112.378 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 m -88.17 144.28 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.8 m -70.89 157.63 37.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -140.61 161.01 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -161.41 156.18 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.65 69.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -75.15 170.39 16.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.817 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -81.05 163.1 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.87 107.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -91.08 6.82 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.4 -178.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 40.4 tttp -165.6 137.33 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -143.26 147.88 35.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.66 163.45 15.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.421 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 96.5 m95 -67.34 108.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 90' ' ' TRP . 96.1 mt -109.03 145.08 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 126.54 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -113.74 158.91 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -112.69 86.88 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.505 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -64.45 -59.27 11.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.806 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.1 Cg_endo -69.73 178.91 4.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.268 . . . . 0.0 112.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -133.67 152.62 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.95 18.99 3.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -133.51 130.83 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -73.63 100.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 ttt -173.25 116.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -111.65 135.0 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -91.66 149.7 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.2 ttmm -115.75 119.12 35.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -147.76 136.02 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -62.94 124.34 20.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -114.68 157.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -159.62 140.65 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 45.3 t80 -121.1 138.75 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.07 -29.08 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 130.41 -14.28 5.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 12.4 mt -105.43 -42.79 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 p -155.13 175.48 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.3 mt -109.95 106.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.442 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 61.4 m -113.89 115.8 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -119.27 145.53 46.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.58 170.34 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.22 178.93 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.01 35.14 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.79 156.02 49.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -78.5 95.49 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -133.83 136.87 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.95 174.49 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 39.97 34.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.7 m -44.3 137.22 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -143.45 175.13 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.12 77.77 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -146.24 140.76 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 51' ' ' ILE . 13.5 mt -124.82 112.87 27.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.2 tp -38.44 -37.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 t -53.97 -49.87 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.19 -49.65 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.1 mt -47.83 129.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 -44.72 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 t -166.76 133.25 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.01 134.6 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -140.97 161.65 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.85 145.61 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' NE2' ' HB2' ' A' ' 69' ' ' GLU . 8.7 mt-30 -149.5 138.77 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.83 -138.96 21.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -101.42 -65.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -120.9 42.33 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -137.91 165.24 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 14.2 p90 -140.4 160.39 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.414 ' HB2' ' NE2' ' A' ' 63' ' ' GLN . 20.6 tt0 -114.9 116.25 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -96.2 104.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.88 117.42 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -128.99 129.41 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' THR . 9.6 m -35.61 -55.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -47.74 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -170.92 111.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.7 m -40.37 135.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -117.57 177.19 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.22 122.1 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.557 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 33.1 m-85 -117.61 143.63 45.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -115.53 149.83 37.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 m -111.9 174.47 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -102.78 -24.1 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -142.33 159.99 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.74 -54.41 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -42.27 -47.21 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -53.18 -42.44 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -48.81 -62.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.83 -49.22 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -50.12 -68.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 68.4 m95 -41.97 -59.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.72 -68.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -37.89 -47.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.23 -53.21 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.0 mt -54.33 -57.65 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.98 -49.61 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -46.8 -40.84 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' GLN . . . -65.95 -38.17 87.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 101' ' ' GLN . 40.6 mt -64.41 -29.85 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.44 -56.92 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.5 t -61.0 -52.3 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -56.2 -34.82 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.7 t -70.24 97.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -149.81 151.6 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.4 t -106.23 159.05 16.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -38.16 -51.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -51.28 138.1 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 t -118.04 130.43 56.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 109' ' ' ALA . 58.3 tp60 -162.76 153.66 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' GLN . . . -103.04 121.54 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.4 m -110.04 -60.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.83 118.45 12.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -172.86 160.76 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -61.91 163.77 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.14 163.28 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.647 ' HB2' HD13 ' A' ' 93' ' ' ILE . 22.6 tttp -166.71 141.02 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 p -148.94 132.13 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.49 166.11 35.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -60.55 121.52 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 mt -129.67 140.54 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.69 110.74 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -91.49 146.33 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.882 0.372 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 28' ' ' ARG . 26.5 ttmt -83.75 135.97 34.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -146.09 147.39 31.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -73.43 131.59 42.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 39' ' ' TYR . 99.6 t -125.33 153.51 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 30' ' ' VAL . 41.4 tttt -157.74 136.46 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -116.04 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -103.98 -41.96 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.34 -16.8 1.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 29.4 mt -108.88 -44.21 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -147.19 172.6 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -106.87 112.0 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -100.52 111.23 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.69 ' HB2' HG22 ' A' ' 30' ' ' VAL . 5.9 p90 -129.86 118.99 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 tt -136.71 130.3 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.36 117.67 61.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.662 0.744 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.619 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.6 Cg_endo -69.8 133.23 25.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.4 tp -53.36 -31.37 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -64.15 -40.65 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -56.62 -44.93 81.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 98' ' ' LEU . 93.7 mt -50.18 103.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -83.38 -46.9 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -155.86 155.95 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 t -128.08 141.28 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -149.38 168.97 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.663 HG12 ' HD3' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -94.11 151.05 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -142.41 148.91 38.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 39.86 -149.27 0.14 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -101.34 127.23 48.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 54.76 35.09 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -137.66 166.79 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 2.2 p90 -156.01 159.77 39.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.692 ' HG3' HG22 ' A' ' 78' ' ' VAL . 19.5 tt0 -120.0 120.82 37.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.34 108.07 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.525 ' HA ' HG23 ' A' ' 76' ' ' THR . 21.5 t -76.52 132.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -130.31 139.49 50.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 m -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 92.2 mm-40 -83.88 -75.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 4.8 mpt_? -149.23 123.03 9.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.525 HG23 ' HA ' ' A' ' 71' ' ' VAL . 9.3 m -47.5 137.43 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -120.89 151.17 40.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 ' HG3' ' A' ' 69' ' ' GLU . 61.3 t -121.51 118.29 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 80.2 m-85 -113.76 137.0 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.52 142.26 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.613 HG21 ' HB2' ' A' ' 87' ' ' ARG . 6.0 m -108.36 177.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.12 -18.96 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -127.88 154.4 45.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.47 -51.98 44.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.77 -35.0 29.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.53 -50.77 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.663 ' HD3' HG12 ' A' ' 62' ' ' VAL . 6.2 tmm_? -46.52 -53.95 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.98 -40.98 87.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -55.21 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.601 ' HA ' HD12 ' A' ' 93' ' ' ILE . 52.5 m95 -44.14 -61.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -44.98 -57.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -50.59 -51.87 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 10' ' ' LYS . 41.0 mt -49.31 -45.98 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.18 -53.72 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -53.61 -37.38 62.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.12 -39.34 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.14 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD11 ' CG2' ' A' ' 57' ' ' ILE . 16.6 mt -84.61 -36.83 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -68.46 -32.56 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.843 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.28 176.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG2' ' CE2' ' A' ' 90' ' ' TRP . 29.9 tptt -160.72 151.53 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -153.2 142.48 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.73 144.46 4.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -56.52 107.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.495 HD12 ' HB ' ' A' ' 30' ' ' VAL . 19.5 mt -103.94 130.42 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -91.43 111.48 22.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 3.6 ptmm? -103.43 -175.14 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -78.86 112.85 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -137.07 133.63 35.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -61.51 136.11 57.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 14' ' ' LEU . 74.6 t -129.76 142.04 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -144.19 123.47 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 25.1 t80 -103.66 126.97 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -111.87 18.58 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 90.63 -47.95 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.445 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt -71.75 -59.02 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.69 ' OG ' HD11 ' A' ' 51' ' ' ILE . 23.2 p -144.12 170.12 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.79 105.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.4 m -93.67 122.49 36.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.6 129.3 42.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.69 HD11 ' OG ' ' A' ' 36' ' ' SER . 13.2 tt -149.4 150.47 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.355 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mt -121.87 115.3 30.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 52.8 Cg_endo -69.85 135.71 30.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' A' ' 57' ' ' ILE . 5.8 tp -53.04 -34.15 55.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.6 p -58.94 -39.28 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -60.65 -43.01 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 54' ' ' LEU . 41.9 mt -57.65 103.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -81.94 -52.11 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 t -153.28 153.76 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -125.31 139.77 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -141.17 150.1 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.42 149.85 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HB2' ' N ' ' A' ' 68' ' ' PHE . 8.5 mm100 -131.67 141.38 49.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.08 -119.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -117.28 -53.7 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.66 46.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -148.05 170.42 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.434 ' N ' ' HB2' ' A' ' 63' ' ' GLN . 35.5 p90 -157.77 155.37 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 10.7 tt0 -108.03 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -105.74 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HA ' HG23 ' A' ' 76' ' ' THR . 59.5 t -67.29 139.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -144.48 168.56 19.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -61.94 -61.17 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.09 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -170.64 120.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 71' ' ' VAL . 89.5 m -39.16 149.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.88 156.64 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.83 113.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 53.4 m-85 -109.05 158.72 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -133.03 141.34 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 m -104.79 176.24 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -98.24 -18.18 18.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -138.92 143.94 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.69 -41.11 66.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -56.69 -51.57 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -47.85 -39.36 18.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -49.88 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.81 -49.49 73.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -65.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.448 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 67.5 m95 -44.38 -58.27 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' SER . 39.5 mt -48.36 -71.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' ILE . 8.7 t -36.25 -53.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -51.41 -48.9 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.2 -57.46 11.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.69 -48.42 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.34 -44.51 65.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.82 -43.83 82.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.44 -42.23 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -53.56 -35.42 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.84 167.41 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HB2' HD13 ' A' ' 93' ' ' ILE . 34.4 tttp -170.35 139.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t -144.52 154.04 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.72 151.03 5.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.64 103.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' CE2' ' A' ' 90' ' ' TRP . 12.6 mt -103.27 143.07 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -86.34 99.39 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 22.5 tptp -97.81 147.72 24.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.373 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -74.21 110.75 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -128.56 145.03 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -88.33 117.1 27.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG22 ' HB2' ' A' ' 39' ' ' TYR . 21.5 t -112.48 142.11 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -143.52 130.88 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -108.59 128.94 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.86 -33.2 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.49 -13.21 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.21 -42.97 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 51' ' ' ILE . 32.6 p -153.33 161.71 42.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.485 HD11 HD21 ' A' ' 94' ' ' LEU . 64.8 mt -96.87 109.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -100.42 112.88 25.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' HB2' HG22 ' A' ' 30' ' ' VAL . 22.0 p90 -119.67 122.86 42.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.409 HD11 ' OG ' ' A' ' 36' ' ' SER . 12.8 tt -149.9 141.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.3 mt -115.97 115.64 40.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.81 124.4 11.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -45.03 -32.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 p -60.76 -45.17 95.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -54.31 -48.5 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.9 mt -54.1 107.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -82.21 -47.17 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.9 t -158.95 163.62 36.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.3 t -131.46 139.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -140.69 146.21 37.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.46 147.42 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -111.11 151.24 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -37.36 -70.41 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.19 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.33 55.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -146.45 166.26 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 10.9 p90 -135.68 149.6 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 19.2 tt0 -103.62 138.27 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t -120.85 101.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.3 137.27 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' THR . 19.1 p -114.38 -175.19 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' THR . 22.6 m -34.03 -52.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.14 -52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -179.85 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.408 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 19.7 m -138.77 145.68 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -112.89 164.2 13.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.13 133.22 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 45.0 m-85 -130.85 146.29 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -120.88 132.88 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.21 168.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -105.08 -25.15 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -120.53 167.51 12.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -77.59 -55.12 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -49.28 -42.45 41.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ARG . 75.7 mt-10 -51.08 -55.71 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' GLU . 7.4 ttm105 -34.39 -61.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -60.94 -48.25 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.02 -66.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.472 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.9 m95 -43.63 -60.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LEU . 74.3 mt -50.97 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' ILE . 7.4 t -37.18 -49.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.418 HD13 ' HB2' ' A' ' 10' ' ' LYS . 84.0 mt -57.13 -42.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.485 HD21 HD11 ' A' ' 37' ' ' ILE . 65.6 mt -65.79 -64.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 98' ' ' LEU . 25.7 mt -47.57 -49.62 26.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.65 -34.28 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.38 -18.74 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 95' ' ' LEU . 16.7 mt -85.0 -33.51 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -68.7 -29.55 68.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.867 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.321 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.87 175.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG2' ' CZ2' ' A' ' 90' ' ' TRP . 20.3 tttp -166.22 150.45 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.5 p -152.23 129.43 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.7 167.15 38.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 78.9 m95 -69.6 104.64 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.646 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 84.4 mt -111.27 142.74 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.02 145.56 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -123.92 140.86 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -74.16 122.94 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 30' ' ' VAL . 14.4 mmp_? -145.44 119.73 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -45.25 143.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 28' ' ' ARG . 61.0 t -141.42 145.21 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -149.12 140.98 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 39.9 t80 -125.63 145.06 50.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -125.59 -41.07 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 153.96 -31.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.0 mt -87.25 -48.69 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.559 ' OG ' HD11 ' A' ' 51' ' ' ILE . 66.0 p -154.78 175.17 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.46 114.57 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.6 m -98.87 119.02 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 44.4 p90 -124.09 123.13 39.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 38' ' ' SER . 2.1 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.559 HD11 ' OG ' ' A' ' 36' ' ' SER . 11.6 tt -143.68 151.76 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 41.0 mt -126.53 112.76 23.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.77 124.72 11.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 57' ' ' ILE . 3.2 tp -46.1 -39.86 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.7 t -56.3 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -55.29 -47.44 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 54' ' ' LEU . 31.7 mt -52.45 113.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -87.31 -55.86 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -149.88 169.68 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.82 142.44 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -151.07 130.67 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.717 HG11 ' HE ' ' A' ' 87' ' ' ARG . 26.3 m -67.61 130.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -125.68 146.71 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.51 -140.28 37.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.38 133.57 55.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 m120 47.8 42.76 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -147.56 162.32 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 43.7 p90 -150.49 156.35 41.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -110.16 121.4 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.4 t -100.64 93.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.43 135.76 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.3 p -103.5 179.09 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ALA . 1.9 t -39.66 -38.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -134.96 -62.75 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -69.23 177.24 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 97.8 m -139.21 132.33 29.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.29 171.39 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -140.97 144.19 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 40.6 m-85 -140.82 163.57 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -138.6 136.48 36.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.72 177.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -111.65 -18.48 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -133.58 160.35 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.46 -54.76 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.73 -37.93 63.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -44.31 69.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.717 ' HE ' HG11 ' A' ' 62' ' ' VAL . 14.7 ttt180 -52.11 -59.5 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.37 -47.35 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.1 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.646 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.0 m95 -51.12 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.674 HD11 HG12 ' A' ' 62' ' ' VAL . 68.3 mt -47.16 -58.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -45.21 -49.66 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 77.7 mt -55.77 -51.7 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.41 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 98' ' ' LEU . 73.5 mt -54.45 -48.18 72.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -51.46 -44.03 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.85 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 95' ' ' LEU . 20.3 mt -50.67 -40.14 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -63.42 -44.38 94.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 tptm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.801 0.334 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.34 162.73 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 13.2 tttm -161.91 149.63 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -154.68 128.07 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.53 168.98 39.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -76.29 107.17 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 mt -108.34 160.53 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.33 123.11 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -104.71 158.98 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -108.32 102.28 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -130.05 150.14 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -73.42 132.5 43.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 39' ' ' TYR . 79.7 t -122.35 151.26 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -150.63 140.04 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 93' ' ' ILE . 19.7 t80 -118.91 125.15 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.29 1.58 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 99.14 -20.54 49.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.22 -41.36 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 p -153.08 163.34 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD11 HD21 ' A' ' 94' ' ' LEU . 51.0 mt -105.96 99.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -96.34 126.12 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.571 ' HB3' HG22 ' A' ' 30' ' ' VAL . 52.1 p90 -121.29 130.74 53.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 6.1 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.5 tt -146.11 142.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -112.53 114.56 50.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 52.9 Cg_endo -69.79 125.96 12.74 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -47.4 -32.71 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -60.34 -37.02 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -61.04 -43.53 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.47 111.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -92.52 -31.07 15.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -170.13 151.5 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.415 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 39.9 t -123.01 142.41 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -142.01 142.99 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.43 149.69 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -107.11 148.44 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.2 13.11 16.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASN . 7.6 m-20 -132.57 64.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 35.88 37.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -140.43 176.22 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 12.8 p90 -150.98 143.21 24.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.28 134.01 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.34 107.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.8 124.8 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.0 p -133.13 163.86 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -56.6 -60.75 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -46.97 -66.79 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -167.09 150.53 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 98.6 m -61.04 134.73 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -113.53 169.46 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.3 t -145.88 113.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 61.1 m-85 -106.42 172.19 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -142.47 149.67 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.2 m -122.62 173.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.06 -35.44 10.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -118.81 149.14 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.92 -46.57 90.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.461 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 68.8 mm-40 -51.54 -43.79 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.85 -43.87 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.12 -53.62 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.1 p30 -65.23 -45.22 85.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 14.8 t70 -52.99 -59.01 5.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.516 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 54.0 m95 -46.73 -65.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 94' ' ' LEU . 77.1 mt -48.91 -61.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -38.48 -42.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 80.0 mt -66.43 -39.5 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 37' ' ' ILE . 42.0 mt -67.09 -54.45 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.07 -43.96 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -59.43 -41.65 90.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.49 73.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.69 -44.61 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -47.55 -26.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.863 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.98 171.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 16.4 tttm -171.54 147.34 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p -150.28 145.46 26.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.61 161.35 24.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.34 118.58 9.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 30' ' ' VAL . 73.2 mt -123.31 132.45 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.57 99.86 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -89.11 145.45 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.7 tt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -81.72 118.05 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -144.56 133.9 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -62.17 140.26 58.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HB ' HD12 ' A' ' 14' ' ' LEU . 36.2 t -134.61 136.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -140.86 152.39 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.457 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 44.2 t80 -128.27 147.69 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.49 -43.04 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 152.19 -21.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 9.6 mt -106.5 -41.71 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 51' ' ' ILE . 2.2 m -154.36 167.67 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mt -106.02 116.0 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -95.86 113.08 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -117.21 125.49 51.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 36' ' ' SER . 13.9 tt -145.18 143.83 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -110.89 113.02 55.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.727 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.79 125.72 12.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 20.0 tp -45.35 -31.92 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 p -62.07 -42.04 98.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -53.43 -45.39 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -55.55 98.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -80.68 -47.28 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -157.33 148.26 21.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.46 HG11 HG12 ' A' ' 91' ' ' ILE . 59.5 t -119.58 137.69 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 61' ' ' ARG . 3.2 ptm85 -146.29 147.14 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -78.96 140.45 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.3 142.34 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.88 -154.13 43.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 66' ' ' ASN . 2.3 m-20 -105.14 130.19 53.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 47.47 37.61 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -142.86 163.6 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.2 p90 -151.16 156.83 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 4.6 tt0 -105.16 118.25 36.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG12 HG23 ' A' ' 72' ' ' THR . 72.9 t -99.35 94.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.76 111.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.493 HG23 HG12 ' A' ' 70' ' ' VAL . 55.0 p -115.6 164.86 13.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 m -68.48 -44.79 74.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.86 -56.96 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.2 ptp180 -174.94 121.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' ARG . 28.3 m -34.91 141.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -121.52 135.72 55.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.92 127.17 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 35.9 m-85 -126.55 153.26 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -129.26 135.29 48.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -99.01 175.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.26 -31.87 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -131.39 145.34 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.9 tp10 -50.46 -57.52 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -37.84 -50.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' ARG . 52.9 mt-10 -53.51 -49.9 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' NH2' ' OE1' ' A' ' 84' ' ' GLU . 7.8 ttm180 -38.0 -54.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -66.86 -41.33 87.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -52.01 -64.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.502 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 77.8 m95 -45.98 -62.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.46 HG12 HG11 ' A' ' 60' ' ' VAL . 97.3 mt -47.91 -46.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 t -58.4 -48.76 79.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 90.2 mt -55.28 -44.56 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.52 -52.5 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.46 -49.83 69.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -52.28 -37.73 56.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.53 -53.79 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.76 -25.79 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -72.79 -30.02 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.79 163.52 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 27.8 tttp -168.16 140.67 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 p -141.58 121.34 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 163.99 34.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -78.96 99.05 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 80' ' ' ARG . 14.3 mt -105.83 165.89 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD2' ' CD ' ' A' ' 80' ' ' ARG . 33.0 m-20 -98.88 144.12 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 91.98 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.8 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.92 0.391 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -123.09 120.55 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -145.57 132.28 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 42.0 t-105 -61.62 142.33 57.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.6 t -127.83 150.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -156.67 127.21 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 20.0 t80 -105.65 138.56 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -120.08 -0.76 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 104.76 -35.58 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 35' ' ' LEU . 6.4 mp -84.47 -55.06 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.779 ' OG ' HD11 ' A' ' 51' ' ' ILE . 82.8 p -147.31 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.37 114.42 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -109.17 122.85 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -122.73 141.05 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CZ ' ' CD1' ' A' ' 29' ' ' TRP . 1.9 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.779 HD11 ' OG ' ' A' ' 36' ' ' SER . 18.9 tt -150.49 147.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.1 mt -118.14 113.37 37.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.0 Cg_endo -69.71 132.13 22.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.76 -41.18 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.4 t -52.5 -48.67 65.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -49.54 -49.54 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.433 HG23 HG13 ' A' ' 70' ' ' VAL . 73.6 mt -53.15 115.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 -55.72 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -155.29 144.01 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.73 139.26 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -132.15 161.06 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.37 135.99 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 64' ' ' GLY . 24.3 mt-30 -100.08 167.47 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -35.07 -89.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.86 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -73.5 66.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -144.43 172.18 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 34.7 p90 -153.34 160.14 42.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.597 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -118.74 142.0 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 57' ' ' ILE . 58.2 t -114.28 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.94 133.11 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 p -139.31 171.13 14.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.3 m -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.73 -64.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.6 ptp180 -166.52 137.05 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.7 m -53.94 135.89 41.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 49.7 m-85 -113.67 162.8 15.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG22 ' CD ' ' A' ' 69' ' ' GLU . 22.9 t -127.35 127.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 64.9 m-85 -134.98 133.58 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.662 ' O ' HD22 ' A' ' 14' ' ' LEU . 7.4 ptm180 -109.26 165.98 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 90' ' ' TRP . 9.3 m -116.04 175.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -102.22 -19.17 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -146.06 164.15 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.43 -38.78 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 87' ' ' ARG . 16.5 mt-10 -56.98 -57.21 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.532 ' HA ' HG11 ' A' ' 81' ' ' VAL . 46.7 ttp180 -35.32 -60.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.78 -39.31 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 90' ' ' TRP . 0.8 OUTLIER -64.99 -72.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.542 ' CD1' HG12 ' A' ' 81' ' ' VAL . 58.2 m95 -35.96 -42.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -74.06 -45.27 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' ASP . 22.7 m -59.88 -32.81 71.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.69 -57.01 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.23 -55.41 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -49.44 -53.4 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.09 -36.35 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.58 -15.11 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.24 -43.84 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -35.91 80.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 m -142.5 167.58 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HB2' HD13 ' A' ' 93' ' ' ILE . 29.9 tttp -162.32 138.66 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.8 p -143.66 117.71 9.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.17 -159.75 9.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.8 107.49 18.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' HG12 ' A' ' 81' ' ' VAL . 52.0 mt -117.11 138.61 51.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.34 121.21 29.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -87.19 115.65 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.9 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -74.34 119.07 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -150.2 134.24 16.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -62.32 127.94 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 39' ' ' TYR . 99.0 t -121.03 147.97 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -142.43 150.66 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 21.7 t80 -136.32 121.8 19.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -114.63 11.16 16.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.511 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 97.87 -44.76 1.78 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.52 -55.52 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.513 ' HB3' HD11 ' A' ' 51' ' ' ILE . 11.1 t -153.42 172.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.53 103.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.466 ' CA ' HG13 ' A' ' 51' ' ' ILE . 1.5 t -105.28 130.34 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.615 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.5 p90 -117.25 134.21 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.943 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 36' ' ' SER . 3.9 tt -144.13 151.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mt -124.16 113.37 28.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.35 10.99 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 57' ' ' ILE . 5.7 tp -40.79 -42.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 p -48.3 -50.3 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.8 59.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 54' ' ' LEU . 76.2 mt -50.73 105.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -84.28 -44.1 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -169.93 155.7 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.785 HG11 HG12 ' A' ' 91' ' ' ILE . 46.9 t -113.71 135.98 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -140.73 123.66 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -55.27 139.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' GLY . 20.1 tt0 -139.6 163.98 31.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 35.88 -154.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.2 136.34 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 39.17 38.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -136.52 164.76 27.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 16.4 p90 -146.91 146.97 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 8.0 tt0 -105.27 116.32 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -92.95 100.3 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -66.87 131.5 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.6 p -138.99 156.54 47.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 m -60.08 -53.51 56.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -55.63 -62.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 13.1 ptm180 -170.01 125.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.425 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 32.7 m -43.41 134.57 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 50.7 m-85 -118.5 142.28 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 t -111.93 140.6 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 13.4 m-85 -131.03 137.45 49.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.61 135.88 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG12 ' CD2' ' A' ' 14' ' ' LEU . 27.2 m -112.06 161.01 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -79.0 -18.18 54.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -143.63 145.68 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 16.9 pt-20 -53.84 -53.65 49.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 10.3 mt-10 -36.23 -45.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.09 -43.47 98.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.2 tmm_? -54.68 -45.3 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -72.81 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.6 m-20 -58.86 -65.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.504 ' HA ' HD12 ' A' ' 93' ' ' ILE . 69.4 m95 -39.14 -52.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.785 HG12 HG11 ' A' ' 60' ' ' VAL . 87.5 mt -52.56 -63.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.3 t -45.77 -41.03 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 90' ' ' TRP . 38.4 mt -64.37 -58.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.4 mt -50.28 -51.75 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.87 -52.97 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -46.91 -40.67 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.2 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.8 mt -58.55 -43.64 89.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -46.96 -38.27 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.57 167.78 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HE2' ' CD1' ' A' ' 90' ' ' TRP . 30.0 tttp -164.85 139.3 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.2 p -151.52 119.96 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.97 168.51 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -71.39 110.01 5.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.8 mt -112.91 164.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -108.04 113.2 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -85.22 97.75 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.571 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.449 HE21 ' HB2' ' A' ' 26' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.97 134.02 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -161.59 131.37 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -63.96 135.41 56.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.1 144.56 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 82.6 tttt -146.97 157.61 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 25.8 t80 -132.12 141.89 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.37 -43.69 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 -9.48 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -120.12 -40.0 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -153.46 159.86 42.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 mt -98.38 117.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.746 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.8 p -105.68 117.2 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -122.4 131.26 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 38' ' ' SER . 2.4 tp -143.43 132.6 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -106.42 113.23 63.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.8 Cg_endo -69.73 123.49 10.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 97' ' ' ALA . 10.0 tp -45.69 -29.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -62.35 -44.27 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -55.31 -42.32 73.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.22 117.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -98.36 -48.41 5.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 t -162.0 155.73 21.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.78 148.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -147.15 145.32 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -81.55 140.84 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -133.61 162.66 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.17 -122.31 17.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.37 -46.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.91 33.69 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -129.93 167.03 18.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 3.6 p90 -150.61 161.66 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -119.49 132.52 55.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.76 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.11 116.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -117.06 149.59 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 73' ' ' THR . 7.7 m -60.56 -12.09 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -99.35 -70.3 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 44.4 mtt-85 -152.77 120.87 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.0 m -52.86 135.85 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' ARG . 13.0 m-85 -124.93 146.58 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.93 121.27 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 17.6 m-85 -114.84 132.34 56.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -112.94 142.44 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 87' ' ' ARG . 1.1 m -106.17 167.91 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.29 -18.87 23.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -146.04 131.62 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -40.61 -55.79 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 22.4 tt0 -38.02 -50.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -52.57 -49.3 65.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' HB2' HG21 ' A' ' 81' ' ' VAL . 28.6 ttp180 -42.91 -60.22 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 2.6 t70 -61.93 -63.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.549 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 75.3 m95 -46.11 -53.04 11.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 52.4 mt -57.51 -49.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -54.83 -39.78 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 10' ' ' LYS . 41.7 mt -68.83 -46.76 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.45 -52.9 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' A' ' 98' ' ' LEU . 33.4 mt -59.02 -34.29 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -75.49 -16.93 60.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' O ' HD21 ' A' ' 54' ' ' LEU . . . -90.58 -21.49 21.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 95' ' ' LEU . 15.4 mt -82.62 -19.14 38.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -84.43 -28.92 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tptt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.851 0.357 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.01 170.3 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 93' ' ' ILE . 20.4 tttt -173.6 143.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -150.28 133.65 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.57 149.6 14.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 73.6 m95 -63.11 105.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 90' ' ' TRP . 27.5 mt -121.72 162.3 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.37 120.43 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HE3' ' CZ ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -101.0 125.35 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -46.3 129.93 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -159.22 133.06 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 4.7 t-105 -69.01 129.43 39.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG13 ' CG2' ' A' ' 37' ' ' ILE . 92.5 t -111.38 138.17 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 15.5 tttt -131.81 144.39 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.432 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 31.4 t80 -129.7 126.37 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.76 28.99 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 83.62 -48.62 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 mt -70.64 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -141.03 171.02 14.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.516 ' CG2' HG13 ' A' ' 30' ' ' VAL . 19.2 mt -103.13 108.35 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.791 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.0 t -101.16 114.82 29.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -108.15 138.17 44.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 38' ' ' SER . 3.1 tp -141.98 139.45 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.69 112.07 48.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.5 Cg_endo -69.79 127.15 14.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.9 tp -46.72 -39.89 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -52.75 -47.7 67.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 72' ' ' THR . . . -49.29 -50.7 38.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt -47.7 91.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 53.0 m -76.48 -43.29 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.1 t -166.73 150.08 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.0 t -121.0 141.59 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -148.29 136.77 21.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -69.93 133.81 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -142.56 135.25 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.22 -154.97 51.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.54 130.35 49.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m120 45.67 42.24 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -146.79 161.88 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 15.4 p90 -144.03 173.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.57 ' OE2' HG21 ' A' ' 76' ' ' THR . 24.8 tt0 -121.78 130.97 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.3 t -115.4 102.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -75.91 130.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.481 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 65.7 p -138.46 165.87 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 m -59.86 -60.27 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -50.05 -63.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.1 137.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.57 HG21 ' OE2' ' A' ' 69' ' ' GLU . 31.7 m -57.01 141.49 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.73 166.61 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -131.42 117.97 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 39.8 m-85 -105.31 150.41 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -128.37 126.88 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -97.78 172.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.15 -21.64 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -143.76 158.61 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.75 -54.6 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -39.61 -54.03 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -49.92 -40.11 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -53.99 -55.76 24.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -65.14 -43.6 91.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.15 -60.91 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.511 ' CE2' HD11 ' A' ' 14' ' ' LEU . 67.7 m95 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' PHE . 82.8 mt -50.21 -46.57 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -58.2 8.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 10' ' ' LYS . 81.9 mt -45.22 -50.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 37' ' ' ILE . 28.0 mt -55.53 -61.23 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 92.0 mt -49.74 -50.25 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -54.2 -44.11 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.41 75.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.51 -42.36 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -54.73 -45.97 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HG2' HG13 ' A' ' 9' ' ' VAL . 3.7 pttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG13 ' HG2' ' A' ' 8' ' ' LYS . 28.8 m -132.63 166.42 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 34.5 tttp -173.3 142.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.5 p -149.08 131.27 15.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.7 -177.68 40.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 14.3 m95 -78.0 96.81 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -103.25 123.55 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 127.05 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -104.56 152.58 22.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.1 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 10.3 tppt? -74.15 145.48 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.87 137.57 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.6 t-105 -79.33 106.11 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 13.2 t -109.96 140.57 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -143.01 132.27 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -104.48 121.2 42.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -99.12 -8.43 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.81 -36.79 3.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.03 -51.92 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.9 m -151.49 170.38 19.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 21.7 mt -102.44 113.6 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -107.56 131.2 54.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 1.5 p90 -114.19 167.28 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 2.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.546 ' C ' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.36 142.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.3 mt -105.71 113.2 64.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.717 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.14 44.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.21 -37.37 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 p -54.96 -46.73 75.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -43.37 62.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 HD11 ' A' ' 98' ' ' LEU . 66.9 mt -58.84 106.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -91.16 -35.07 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -168.29 146.62 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.56 139.92 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.64 169.51 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.97 150.41 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' GLY . 3.5 tp-100 -133.43 144.33 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 36.39 -134.88 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.55 124.74 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.6 35.25 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -142.2 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 25.4 p90 -150.69 153.94 36.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.72 136.63 52.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 HG23 ' A' ' 72' ' ' THR . 87.6 t -107.11 113.12 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.171 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.22 109.02 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.43 HG23 HG12 ' A' ' 70' ' ' VAL . 44.0 p -118.43 156.62 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -54.3 -61.43 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -46.15 -60.46 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -173.24 135.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -56.11 134.37 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -110.82 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.6 139.54 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 24.8 m-85 -140.31 141.72 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -118.91 147.43 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 m -115.1 175.96 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -103.06 -38.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -116.64 142.91 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -50.45 -50.1 53.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' ARG . 23.6 mt-10 -50.19 -53.88 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' GLU . 11.6 ttm180 -36.24 -69.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -51.25 -51.69 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -46.44 -63.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.486 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 82.9 m95 -48.0 -59.54 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 54.1 mt -49.62 -66.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -42.95 -53.44 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.67 -57.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -50.5 -56.66 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.3 mt -51.29 -50.07 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -54.1 -43.2 70.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.35 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 57' ' ' ILE . 80.2 mt -71.2 -53.43 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -61.48 -31.18 71.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.52 154.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 22.5 tttm -157.64 135.56 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -148.63 141.68 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.15 -159.79 21.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -108.13 97.85 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 16.2 mt -111.41 156.63 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.98 150.09 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.17 131.89 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -80.01 103.79 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -124.63 125.35 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -66.49 123.6 20.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 26.3 t -115.36 150.82 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -151.86 126.47 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 21.0 t80 -100.44 133.61 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -112.88 9.09 18.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 93.47 -23.96 27.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.54 -48.47 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.4 m -151.22 164.76 35.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.531 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 48.0 mt -94.1 104.01 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -93.2 110.15 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' HH ' ' N ' ' A' ' 50' ' ' GLY . 16.1 p90 -120.03 139.6 52.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.537 ' N ' ' HH ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.9 tt -150.34 137.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 mt -102.6 114.59 65.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.9 Cg_endo -69.74 137.24 35.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.324 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tp -55.48 -35.08 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.2 p -58.41 -41.84 85.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -52.55 -46.22 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.49 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 t -74.43 -42.63 58.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -162.79 136.7 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -111.93 142.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 61' ' ' ARG . 3.6 ptm85 -149.07 157.45 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.419 HG12 ' CD1' ' A' ' 91' ' ' ILE . 23.1 m -83.35 147.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . 84.5 mt-30 -110.98 147.51 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.71 -71.99 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.96 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -76.02 52.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -145.15 172.28 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.9 p90 -133.9 156.87 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.92 132.63 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.8 t -118.44 97.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.94 121.75 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 75.6 p -115.42 -178.77 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.58 -26.02 32.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.7 -66.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 6.2 ptm180 -154.6 123.26 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.8 m -44.5 137.3 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.45 147.46 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.01 107.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 56.0 m-85 -103.47 144.23 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -117.29 146.42 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.7 m -109.99 175.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -99.96 -21.84 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -137.68 144.4 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -49.74 -41.07 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.09 -58.82 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.76 -38.35 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -49.48 -59.25 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.58 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.95 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.784 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 62.6 m95 -39.51 -62.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 92' ' ' SER . 75.6 mt -43.97 -67.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' ILE . 23.4 m -35.58 -58.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.87 -51.78 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.92 -52.53 65.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.2 mt -52.25 -44.09 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 18.0 t-20 -66.18 -38.0 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -28.04 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.8 mt -72.68 -45.64 57.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 ptpp? -69.61 -37.33 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 m -134.42 177.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 23.3 tttp -163.32 138.1 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -147.6 120.23 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 29' ' ' TRP . . . -171.03 164.27 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 91.1 m95 -63.71 110.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.4 mt -109.22 127.71 54.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.43 115.14 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -111.27 145.79 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' OE1' ' NH2' ' A' ' 28' ' ' ARG . 26.0 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 29.7 tttm -111.13 85.99 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 28.7 mmt85 -110.3 147.05 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.1 t-105 -81.79 141.91 33.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.8 t -132.79 147.58 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 31' ' ' LYS . 8.0 tmtt? -149.75 144.47 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -126.77 134.53 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.98 -30.93 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.26 4.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.2 mt -111.34 -45.53 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' HD11 ' A' ' 51' ' ' ILE . 16.1 p -149.12 163.05 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.68 106.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 p -94.03 120.76 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 46.1 p90 -123.76 126.18 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.51 HD11 ' OG ' ' A' ' 36' ' ' SER . 4.6 tt -129.06 133.79 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mt -109.37 116.91 54.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.8 Cg_endo -69.82 131.14 20.53 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -48.19 -31.38 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -64.12 -42.54 96.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.554 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -56.23 -46.0 79.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 85.2 mt -54.05 92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 m -67.59 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 t -170.7 155.95 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -124.25 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -150.84 138.21 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -60.28 133.26 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.9 119.97 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.89 -167.52 38.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.99 115.67 28.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 55.97 45.08 24.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -143.84 170.72 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 91' ' ' ILE . 31.0 p90 -154.63 145.0 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -105.74 121.42 43.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.59 111.39 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 127.99 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.6 p -130.77 172.42 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -63.32 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -44.32 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -165.51 142.13 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 68.9 m -52.58 142.11 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.25 161.14 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.89 122.33 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 62.5 m-85 -122.39 137.38 54.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -116.05 157.17 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.21 165.57 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.05 -12.17 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -143.77 143.32 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -56.65 -50.4 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 19.0 mt-10 -47.06 -42.53 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -44.15 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.66 -65.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 1.2 p30 -50.41 -40.84 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.34 -55.91 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 68.6 m95 -51.36 -60.77 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' PHE . 94.4 mt -50.03 -49.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m -51.65 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 57.0 mt -56.5 -53.95 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.18 -54.92 24.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.88 -43.71 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.75 -44.1 81.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.3 90.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.01 -39.12 65.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -57.56 -20.74 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.09 168.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.675 ' HB2' HD13 ' A' ' 93' ' ' ILE . 34.7 tptt -161.93 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -157.47 120.87 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.0 169.36 38.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -82.84 91.0 6.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 13.2 mt -102.05 149.19 24.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' A' ' 26' ' ' GLN . 7.1 t0 -88.99 130.72 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 1.5 mmmp? -84.71 143.99 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' C ' ' OD1' ' A' ' 15' ' ' ASP . 51.8 mt-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -52.15 126.2 17.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -151.94 162.48 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -85.28 144.65 27.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 39' ' ' TYR . 62.1 t -136.2 138.61 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -137.39 129.15 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 33.2 t80 -113.72 126.89 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -115.37 25.71 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.538 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 84.88 -46.56 3.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.42 -59.41 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.425 ' OG ' HD11 ' A' ' 51' ' ' ILE . 32.0 p -150.04 171.08 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -104.47 103.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 118.84 36.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.591 ' CE2' ' HE3' ' A' ' 16' ' ' LYS . 47.7 p90 -113.57 133.26 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.425 HD11 ' OG ' ' A' ' 36' ' ' SER . 16.8 tt -140.88 141.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 63.7 mt -111.96 112.11 53.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.1 tp -37.59 -43.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -46.22 -47.47 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.81 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -52.82 126.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -108.55 -48.8 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -154.51 145.17 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.3 t -116.59 136.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.27 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 m -90.67 138.03 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -151.61 129.55 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.63 -177.02 54.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -77.11 117.93 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.3 m120 49.3 44.64 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -141.77 164.41 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HE1' HG13 ' A' ' 81' ' ' VAL . 5.8 p90 -144.98 157.16 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 15.8 tt0 -108.63 120.87 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -95.78 100.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.09 145.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.9 p -152.14 174.31 13.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -76.2 -44.49 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -64.3 -58.99 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 ptp180 -172.49 131.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 42.1 m -51.15 134.59 26.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 81.8 m-85 -114.08 176.46 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.33 140.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.22 153.51 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -124.92 137.22 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' HE1' ' A' ' 68' ' ' PHE . 29.8 m -103.09 177.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -106.73 -17.25 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -138.52 148.99 44.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.75 -47.49 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.86 -50.46 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -45.91 -54.24 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -41.61 -58.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.63 -50.5 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD2' ' CE ' ' A' ' 10' ' ' LYS . 4.7 t70 -51.68 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 90.8 m95 -40.87 -57.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.1 mt -52.32 -62.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -46.27 -43.81 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' A' ' 10' ' ' LYS . 43.3 mt -59.33 -56.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.6 mt -52.64 -59.29 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.2 mt -51.2 -35.3 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.41 -31.18 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.4 69.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.91 -48.17 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -51.16 -48.52 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.75 175.4 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.2 tttm -170.51 140.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.8 p -144.18 128.63 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.13 148.92 13.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -60.06 113.43 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 86.7 mt -118.24 170.02 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 17.3 m-20 -109.4 149.2 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -113.78 105.27 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD22 ' HB ' ' A' ' 78' ' ' VAL . 16.3 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.14 148.58 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -163.61 133.79 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.05 121.81 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 39' ' ' TYR . 84.3 t -115.78 146.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -146.57 142.15 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -128.51 139.58 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.57 -42.53 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.87 -21.75 0.6 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp -97.44 -50.88 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 p -154.0 165.86 34.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.35 118.62 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 m -111.64 120.96 43.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.486 ' HB3' HG22 ' A' ' 30' ' ' VAL . 4.0 p90 -116.65 140.29 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.5 149.83 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.101 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -117.6 112.86 38.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.2 Cg_endo -69.75 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 tp -59.04 -33.42 70.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.0 p -63.13 -36.6 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.671 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -57.46 -46.85 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.13 93.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -69.64 -48.99 57.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -162.7 147.28 11.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.616 HG11 HG12 ' A' ' 91' ' ' ILE . 60.5 t -110.84 136.66 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 3.0 ptp180 -146.92 121.75 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.646 HG12 HD11 ' A' ' 91' ' ' ILE . 31.3 m -66.03 153.3 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 64' ' ' GLY . 18.8 tt0 -112.26 163.19 14.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -36.11 -77.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.37 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.576 ' O ' HG22 ' A' ' 81' ' ' VAL . 67.8 m-20 -76.39 50.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -136.48 170.29 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 33.9 p90 -139.0 162.04 35.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HG3' HG22 ' A' ' 78' ' ' VAL . 12.2 tt0 -115.48 120.68 40.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -98.94 101.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.43 118.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.7 p -113.81 174.66 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.1 m -74.94 -27.81 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 35.4 mm-40 -83.82 -75.67 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -145.87 122.26 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.1 m -48.0 127.97 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -109.22 163.79 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.494 ' HB ' HD22 ' A' ' 17' ' ' LEU . 99.4 t -133.23 121.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 31.4 m-85 -109.65 159.14 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.445 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 48.0 ttp85 -129.12 148.1 51.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 66' ' ' ASN . 11.1 m -118.09 173.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.64 -27.34 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -127.14 163.88 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.56 -46.93 71.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -58.95 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -46.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.448 ' HB2' HG21 ' A' ' 81' ' ' VAL . 28.7 ttp180 -58.1 -52.01 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -57.54 -42.17 82.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.43 -58.65 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -46.12 -62.02 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.646 HD11 HG12 ' A' ' 62' ' ' VAL . 87.1 mt -50.29 -58.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -42.44 -46.25 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 76.9 mt -64.12 -44.02 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.76 -58.46 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.87 -33.69 37.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.36 -29.88 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.86 -34.37 60.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.92 -53.26 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -52.8 -35.43 56.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.81 170.95 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 26.0 tttp -164.69 141.02 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -152.4 132.63 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 -134.09 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -122.32 99.63 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 53.8 mt -103.78 123.65 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.27 118.36 30.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 35.1 ttpt -122.85 153.38 39.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -99.44 127.69 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -150.74 138.02 19.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -72.19 135.17 46.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 31' ' ' LYS . 21.6 t -124.59 160.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.515 ' N ' HG12 ' A' ' 30' ' ' VAL . 22.8 tttp -158.19 148.38 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.457 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 23.4 t80 -124.88 132.99 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.13 4.29 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 101.47 -37.37 3.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.31 -58.37 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -142.72 155.01 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -88.9 104.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.9 p -94.0 120.45 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -122.39 142.34 50.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.5 tt -143.02 138.06 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.3 mt -108.34 115.46 58.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.622 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.78 131.12 20.55 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.585 HD21 ' O ' ' A' ' 97' ' ' ALA . 15.1 tp -47.5 -31.23 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -65.48 -38.83 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -58.46 -40.77 83.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.31 126.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -102.97 -49.59 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 t -163.24 145.79 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.31 139.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -147.79 147.79 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.09 135.88 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -148.18 118.49 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.89 -179.08 51.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.31 120.28 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 52.19 48.56 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -148.09 163.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 11.7 p90 -152.07 151.29 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' A' ' 78' ' ' VAL . 25.7 tt0 -107.94 119.34 39.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.45 94.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.53 ' HA ' HG23 ' A' ' 76' ' ' THR . 31.0 t -73.82 122.0 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -114.38 -175.28 2.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -72.87 124.94 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 49.55 24.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -172.44 165.6 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.53 HG23 ' HA ' ' A' ' 71' ' ' VAL . 97.2 m -146.68 130.51 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -109.76 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' HG3' ' A' ' 69' ' ' GLU . 26.0 t -106.49 117.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 30.2 m-85 -110.5 161.88 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -137.32 140.2 41.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -107.32 176.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -104.44 -34.14 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -120.42 153.5 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.91 -58.43 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -41.58 -51.82 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -48.93 -41.98 35.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -52.18 -61.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.4 p30 -57.47 -50.35 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -48.66 -55.3 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -52.09 -59.25 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 53.5 mt -52.89 -63.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -40.17 -55.51 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 81.2 mt -50.92 -48.25 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.38 -53.27 59.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 98' ' ' LEU . 86.8 mt -54.84 -35.32 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -70.42 -39.32 74.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.585 ' O ' HD21 ' A' ' 54' ' ' LEU . . . -74.38 -14.88 60.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 95' ' ' LEU . 11.2 mt -89.7 -57.2 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -45.81 -36.67 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tptt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.19 -175.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 25.8 tttp -170.67 137.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -149.18 123.94 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.65 176.06 44.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 92.2 m95 -72.52 111.69 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.506 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 61.0 mt -120.28 131.75 55.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.94 108.47 7.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -89.59 156.41 18.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 25.0 mt-30 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 32.5 tttm -92.48 94.88 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' NE ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -118.41 153.9 33.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -76.86 129.86 36.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' HB ' HD12 ' A' ' 14' ' ' LEU . 88.6 t -116.97 143.0 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' A' ' 33' ' ' ASP . 1.4 tmtp? -140.19 142.32 35.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 27.5 t80 -132.97 128.23 35.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' HB2' ' CE ' ' A' ' 31' ' ' LYS . 29.9 t0 -120.05 29.79 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 81.35 -36.72 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.91 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.8 m -143.28 172.67 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -108.15 109.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -104.55 116.62 32.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -110.24 121.23 44.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.911 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 tt -148.6 146.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mt -115.78 111.68 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -39.67 -38.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -52.12 -47.04 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.33 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' HD22 ' A' ' 98' ' ' LEU . 67.0 mt -52.8 106.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -87.95 -41.75 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -168.05 158.88 10.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 70' ' ' VAL . 60.1 t -137.77 144.94 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -152.34 153.84 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 62' ' ' VAL . 31.6 m -73.86 124.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' O ' ' C ' ' A' ' 64' ' ' GLY . 20.2 tt0 -99.75 117.64 34.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 31.12 -99.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -75.29 48.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.626 ' NZ ' HG12 ' A' ' 78' ' ' VAL . 4.3 mtpm? -126.29 176.46 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 46.3 p90 -148.1 144.87 28.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 12.2 tt0 -100.55 113.88 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.434 ' HA ' HG22 ' A' ' 60' ' ' VAL . 87.9 t -90.99 99.8 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.74 134.88 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.7 p -145.5 159.61 42.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.3 m -63.69 -46.99 83.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.73 -65.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' THR . 13.5 ptm180 -171.6 120.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.493 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 87.5 m -35.43 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.42 164.47 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.626 HG12 ' NZ ' ' A' ' 67' ' ' LYS . 41.5 t -137.02 135.3 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 57.0 m-85 -132.54 156.54 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.32 144.56 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.456 HG11 ' HA ' ' A' ' 87' ' ' ARG . 30.9 m -101.82 175.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -108.15 -20.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.55 155.43 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' C ' ' OE1' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -57.58 -43.86 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.15 -53.07 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -45.11 -43.89 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HA ' HG11 ' A' ' 81' ' ' VAL . 33.7 ttp85 -49.92 -44.04 50.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -81.31 -40.85 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.53 -61.98 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 86.0 m95 -47.82 -62.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 68' ' ' PHE . 64.4 mt -51.05 -48.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 t -55.14 -41.87 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 83.1 mt -66.62 -45.58 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.77 -54.46 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 98' ' ' LEU . 83.7 mt -55.29 -36.94 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.86 -34.27 62.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.1 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 95' ' ' LEU . 12.7 mt -58.82 -47.55 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.54 -44.61 72.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 tttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.46 173.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.5 tttm -166.32 141.36 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -151.76 147.44 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.88 159.58 21.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -70.03 107.12 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 16.3 mt -117.33 141.19 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -72.94 125.53 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 20.5 tptm -116.09 147.53 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.85 HD23 ' HB ' ' A' ' 78' ' ' VAL . 4.5 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -175.12 117.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -151.05 129.06 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -71.63 150.88 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' HD12 ' A' ' 14' ' ' LEU . 56.9 t -145.54 129.52 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -132.12 145.26 51.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -124.49 137.26 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.59 -38.44 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.64 -26.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -97.78 -49.04 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 51' ' ' ILE . 93.8 p -150.33 170.97 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 30' ' ' VAL . 18.0 mt -110.02 119.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 m -101.39 124.47 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CE1' ' C ' ' A' ' 50' ' ' GLY . 24.7 p90 -119.04 138.11 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.536 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.528 HD11 ' OG ' ' A' ' 36' ' ' SER . 20.0 tt -150.65 139.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 23.1 mt -116.7 112.41 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.1 Cg_endo -69.76 119.2 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.6 tp -37.57 -42.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -51.97 -47.02 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -52.73 -46.6 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.09 112.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.46 ' HB2' HG12 ' A' ' 71' ' ' VAL . 3.0 m -87.76 -49.21 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -151.74 164.24 37.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -138.62 129.44 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.91 170.18 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.6 m -98.52 145.22 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' GLY . 7.2 tt0 -105.27 160.1 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.15 -69.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.69 -176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -76.62 50.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -142.53 175.1 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 6.0 p90 -137.33 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -118.05 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -91.45 92.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 58' ' ' SER . 88.9 t -65.11 126.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' THR . 2.4 p -137.31 129.29 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . 55.8 m -33.96 -56.12 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -49.68 -72.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -161.45 121.85 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.5 m -45.86 142.29 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -127.79 170.25 12.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.85 ' HB ' HD23 ' A' ' 17' ' ' LEU . 34.5 t -135.43 136.97 50.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 40.9 m-85 -130.02 135.78 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -112.0 139.84 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 m -104.58 177.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.8 -22.85 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -136.29 145.08 45.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -52.13 -41.52 62.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.471 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 15.9 tt0 -58.83 -43.99 90.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.33 -43.67 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -53.92 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.471 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 2.0 p30 -54.92 -36.5 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -58.79 -50.97 71.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.662 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 79.9 m95 -60.72 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.559 HG22 HD12 ' A' ' 95' ' ' LEU . 71.2 mt -48.85 -40.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.3 t -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 70.5 mt -67.52 -46.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.22 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 91' ' ' ILE . 28.9 mt -52.04 -33.66 39.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -79.53 -19.31 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.57 -29.71 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.8 -53.19 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -52.38 -32.64 39.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.902 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.01 175.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HB2' HD13 ' A' ' 93' ' ' ILE . 23.2 tptt -160.09 152.94 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 p -158.23 125.64 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 138.17 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 87.1 m95 -50.37 112.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 68.4 mt -109.33 141.12 42.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.26 97.45 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 28.6 tttm -104.54 148.09 26.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 32.8 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.72 123.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -147.59 134.02 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 2.3 t-105 -73.99 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG13 ' CG2' ' A' ' 37' ' ' ILE . 86.9 t -112.69 148.01 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -146.38 132.03 18.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 47.3 t80 -123.42 124.93 44.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 35' ' ' LEU . 10.7 t70 -109.25 21.48 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 91.68 -38.2 3.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -78.04 -62.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 51' ' ' ILE . 17.6 m -144.59 175.63 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.513 ' CG2' HG13 ' A' ' 30' ' ' VAL . 27.4 mt -111.71 108.44 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.414 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 40.2 m -109.62 114.04 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -105.32 159.28 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -137.35 139.02 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' N ' HD13 ' A' ' 51' ' ' ILE . 22.4 mt -109.28 111.19 60.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.4 Cg_endo -69.75 142.05 46.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.64 -39.56 73.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 t -53.33 -46.56 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -48.43 -48.26 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.874 HD13 HD22 ' A' ' 94' ' ' LEU . 81.2 mt -50.8 92.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -78.03 -44.99 24.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.1 t -166.19 139.41 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.53 144.91 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 2.2 ptm85 -141.12 121.38 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 91' ' ' ILE . 31.4 m -50.24 153.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 67' ' ' LYS . 13.5 mm100 -111.03 178.36 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -32.55 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASN . 1.6 m-20 -134.57 145.57 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ASP . 24.7 m-80 35.63 44.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 63' ' ' GLN . 8.1 mtmp? -148.29 176.69 10.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.429 ' C ' ' HG2' ' A' ' 63' ' ' GLN . 21.0 p90 -167.32 152.56 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.619 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -111.77 128.5 56.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -106.72 99.94 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.6 126.88 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.9 p -131.25 158.48 40.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.1 m -58.87 -48.77 80.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.33 -62.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.6 ptt180 -172.9 116.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ARG . 43.7 m -37.06 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -120.05 138.85 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.619 HG22 ' CD ' ' A' ' 69' ' ' GLU . 60.6 t -97.04 131.87 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.406 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 m-85 -128.33 158.4 38.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -136.91 131.35 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.73 HG21 ' HB2' ' A' ' 87' ' ' ARG . 13.0 m -95.05 173.83 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -102.4 -26.67 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -128.37 153.17 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -58.96 -46.52 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.34 -47.52 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -55.78 -49.06 74.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.13 -46.59 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.3 -52.51 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.557 ' OD1' HD11 ' A' ' 93' ' ' ILE . 4.6 t70 -46.7 -60.45 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.603 ' HA ' HD12 ' A' ' 93' ' ' ILE . 60.5 m95 -42.73 -56.94 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 62' ' ' VAL . 77.6 mt -51.23 -62.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -42.81 -55.33 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 90' ' ' TRP . 31.5 mt -44.14 -60.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.874 HD22 HD13 ' A' ' 57' ' ' ILE . 29.6 mt -47.66 -57.13 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 65.5 mt -50.84 -47.9 60.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -58.35 -39.88 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.92 -57.76 11.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.3 mt -38.77 -46.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.53 -50.89 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.32 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.4 -178.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 40.4 tttp -165.6 137.33 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -143.26 147.88 35.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.66 163.45 15.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 96.5 m95 -67.34 108.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 96.1 mt -109.03 145.08 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 126.54 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -113.74 158.91 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.2 ttmm -115.75 119.12 35.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -147.76 136.02 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -62.94 124.34 20.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 31' ' ' LYS . 37.3 t -114.68 157.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 30' ' ' VAL . 28.6 tttt -159.62 140.65 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.528 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 45.3 t80 -121.1 138.75 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.07 -29.08 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 130.41 -14.28 5.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 12.4 mt -105.43 -42.79 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 p -155.13 175.48 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.3 mt -109.95 106.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.442 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 61.4 m -113.89 115.8 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -119.27 145.53 46.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -146.24 140.76 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 51' ' ' ILE . 13.5 mt -124.82 112.87 27.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.2 tp -38.44 -37.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 t -53.97 -49.87 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.19 -49.65 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.1 mt -47.83 129.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 -44.72 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 t -166.76 133.25 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.01 134.6 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -140.97 161.65 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.85 145.61 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -149.5 138.77 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.83 -138.96 21.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -101.42 -65.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.646 ' O ' HG22 ' A' ' 81' ' ' VAL . 2.4 m120 -120.9 42.33 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -137.91 165.24 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 14.2 p90 -140.4 160.39 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -114.9 116.25 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -96.2 104.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.408 ' HA ' HG23 ' A' ' 76' ' ' THR . 85.1 t -72.88 117.42 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -128.99 129.41 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' THR . 9.6 m -35.61 -55.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -47.74 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -170.92 111.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 71' ' ' VAL . 35.7 m -40.37 135.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -117.57 177.19 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.22 122.1 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 33.1 m-85 -117.61 143.63 45.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -115.53 149.83 37.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 66' ' ' ASN . 13.7 m -111.9 174.47 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -102.78 -24.1 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -142.33 159.99 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.74 -54.41 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -42.27 -47.21 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -53.18 -42.44 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -48.81 -62.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.83 -49.22 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -50.12 -68.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.634 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 68.4 m95 -41.97 -59.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.72 -68.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -37.89 -47.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.23 -53.21 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.0 mt -54.33 -57.65 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.98 -49.61 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -46.8 -40.84 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.17 87.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.41 -29.85 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.44 -56.92 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 60.58 41.77 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -74.98 168.1 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.78 92.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -103.35 168.21 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -67.2 146.01 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.47 52.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.7 5.02 51.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.14 163.28 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.647 ' HB2' HD13 ' A' ' 93' ' ' ILE . 22.6 tttp -166.71 141.02 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 p -148.94 132.13 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.49 166.11 35.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -60.55 121.52 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 mt -129.67 140.54 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.69 110.74 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -91.49 146.33 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp -94.02 90.85 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.488 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -70.17 -60.27 3.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.6 Cg_endo -69.78 160.94 47.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 60.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.93 20.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt 38.95 33.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -82.31 -22.27 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -167.11 -178.86 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -142.65 140.68 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -113.33 128.02 56.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 28' ' ' ARG . 26.5 ttmt -83.75 135.97 34.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -146.09 147.39 31.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -73.43 131.59 42.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 39' ' ' TYR . 99.6 t -125.33 153.51 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 30' ' ' VAL . 41.4 tttt -157.74 136.46 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -116.04 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -103.98 -41.96 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.34 -16.8 1.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 29.4 mt -108.88 -44.21 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -147.19 172.6 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -106.87 112.0 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -100.52 111.23 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.69 ' HB2' HG22 ' A' ' 30' ' ' VAL . 5.9 p90 -129.86 118.99 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.5 165.97 10.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -71.72 144.13 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -46.65 -46.48 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -82.24 152.12 26.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -69.04 127.6 33.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -132.33 163.1 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 mtp -130.87 147.11 52.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 61.91 40.45 12.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 t -122.23 150.62 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -132.03 146.58 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.3 79.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 tt -136.71 130.3 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.36 117.67 61.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.662 0.744 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.619 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.6 Cg_endo -69.8 133.23 25.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.4 tp -53.36 -31.37 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -64.15 -40.65 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -56.62 -44.93 81.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 98' ' ' LEU . 93.7 mt -50.18 103.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -83.38 -46.9 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -155.86 155.95 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 t -128.08 141.28 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -149.38 168.97 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.663 HG12 ' HD3' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -94.11 151.05 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -142.41 148.91 38.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 39.86 -149.27 0.14 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -101.34 127.23 48.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 54.76 35.09 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -137.66 166.79 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 2.2 p90 -156.01 159.77 39.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.692 ' HG3' HG22 ' A' ' 78' ' ' VAL . 19.5 tt0 -120.0 120.82 37.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.34 108.07 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.525 ' HA ' HG23 ' A' ' 76' ' ' THR . 21.5 t -76.52 132.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -130.31 139.49 50.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 m -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 92.2 mm-40 -83.88 -75.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 4.8 mpt_? -149.23 123.03 9.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.525 HG23 ' HA ' ' A' ' 71' ' ' VAL . 9.3 m -47.5 137.43 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -120.89 151.17 40.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 ' HG3' ' A' ' 69' ' ' GLU . 61.3 t -121.51 118.29 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 80.2 m-85 -113.76 137.0 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.52 142.26 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.613 HG21 ' HB2' ' A' ' 87' ' ' ARG . 6.0 m -108.36 177.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.12 -18.96 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -127.88 154.4 45.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.47 -51.98 44.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.77 -35.0 29.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.53 -50.77 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.663 ' HD3' HG12 ' A' ' 62' ' ' VAL . 6.2 tmm_? -46.52 -53.95 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.98 -40.98 87.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -55.21 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.601 ' HA ' HD12 ' A' ' 93' ' ' ILE . 52.5 m95 -44.14 -61.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -44.98 -57.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -50.59 -51.87 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 10' ' ' LYS . 41.0 mt -49.31 -45.98 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.18 -53.72 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -53.61 -37.38 62.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.12 -39.34 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.14 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD11 ' CG2' ' A' ' 57' ' ' ILE . 16.6 mt -84.61 -36.83 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -68.46 -32.56 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 t -65.76 -42.93 90.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -77.39 -26.1 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.9 t -129.88 102.76 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.62 156.93 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.0 m 46.74 43.46 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.3 t -91.47 176.97 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -57.06 114.99 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.4 m -84.62 137.82 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -95.95 -54.2 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.27 125.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.3 m -99.6 141.35 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.31 76.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.6 t -153.08 127.39 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.4 p -116.11 118.16 32.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -137.6 173.96 11.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.28 118.51 27.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.63 121.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.501 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -74.83 94.1 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -81.59 174.36 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.17 87.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -102.48 17.44 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.28 176.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG2' ' CE2' ' A' ' 90' ' ' TRP . 29.9 tptt -160.72 151.53 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -153.2 142.48 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.73 144.46 4.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -56.52 107.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD12 ' HB ' ' A' ' 30' ' ' VAL . 19.5 mt -103.94 130.42 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -91.43 111.48 22.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 3.6 ptmm? -103.43 -175.14 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -121.64 90.33 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.503 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -66.01 -60.2 7.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.686 0.755 . . . . 0.0 110.842 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 18' ' ' SER . 54.5 Cg_endo -69.69 147.69 63.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.38 -39.36 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.86 -92.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.21 164.57 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -103.57 105.6 15.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtt -136.29 -177.56 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' CB ' ' NH2' ' A' ' 80' ' ' ARG . 11.1 m-85 -145.74 123.89 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -101.36 119.04 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -78.86 112.85 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -137.07 133.63 35.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -61.51 136.11 57.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 14' ' ' LEU . 74.6 t -129.76 142.04 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -144.19 123.47 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 25.1 t80 -103.66 126.97 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -111.87 18.58 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 90.63 -47.95 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.445 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt -71.75 -59.02 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.69 ' OG ' HD11 ' A' ' 51' ' ' ILE . 23.2 p -144.12 170.12 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.79 105.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.4 m -93.67 122.49 36.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.6 129.3 42.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -113.31 179.62 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.1 167.11 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -65.64 174.48 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -52.45 115.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -148.01 153.8 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -37.94 -45.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -133.72 175.14 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.14 140.31 52.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -107.7 120.38 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.83 153.17 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.78 110.18 0.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.69 HD11 ' OG ' ' A' ' 36' ' ' SER . 13.2 tt -149.4 150.47 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.355 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mt -121.87 115.3 30.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 52.8 Cg_endo -69.85 135.71 30.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' A' ' 57' ' ' ILE . 5.8 tp -53.04 -34.15 55.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.6 p -58.94 -39.28 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -60.65 -43.01 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 54' ' ' LEU . 41.9 mt -57.65 103.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -81.94 -52.11 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 t -153.28 153.76 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -125.31 139.77 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -141.17 150.1 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.42 149.85 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HB2' ' N ' ' A' ' 68' ' ' PHE . 8.5 mm100 -131.67 141.38 49.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.08 -119.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -117.28 -53.7 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.66 46.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -148.05 170.42 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.434 ' N ' ' HB2' ' A' ' 63' ' ' GLN . 35.5 p90 -157.77 155.37 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 10.7 tt0 -108.03 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -105.74 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HA ' HG23 ' A' ' 76' ' ' THR . 59.5 t -67.29 139.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -144.48 168.56 19.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -61.94 -61.17 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.09 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -170.64 120.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 71' ' ' VAL . 89.5 m -39.16 149.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.88 156.64 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.83 113.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 53.4 m-85 -109.05 158.72 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.465 ' NH2' ' CB ' ' A' ' 25' ' ' PHE . 49.1 ttp180 -133.03 141.34 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 m -104.79 176.24 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -98.24 -18.18 18.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -138.92 143.94 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.69 -41.11 66.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -56.69 -51.57 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -47.85 -39.36 18.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -49.88 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.81 -49.49 73.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -65.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.448 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 67.5 m95 -44.38 -58.27 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' SER . 39.5 mt -48.36 -71.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' ILE . 8.7 t -36.25 -53.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -51.41 -48.9 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.2 -57.46 11.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.69 -48.42 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.34 -44.51 65.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.82 -43.83 82.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.469 HD23 ' OE1' ' A' ' 101' ' ' GLN . 10.2 mt -52.44 -42.23 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -53.56 -35.42 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.469 ' OE1' HD23 ' A' ' 98' ' ' LEU . 18.9 mt-30 -43.66 -40.22 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -43.91 -58.01 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.558 HD11 ' HG2' ' A' ' 108' ' ' GLN . 32.2 mt 51.83 49.53 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.1 t -52.69 130.31 32.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.7 m 46.75 30.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -139.61 153.98 47.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -139.25 126.1 20.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.558 ' HG2' HD11 ' A' ' 103' ' ' LEU . 2.7 pp0? -117.01 151.81 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -121.97 117.92 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.9 p -153.28 151.82 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.43 83.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.27 6.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t -62.41 137.96 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.4 t -52.93 147.61 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -174.48 171.95 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -125.34 148.65 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.63 -73.24 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m 52.95 44.46 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -152.41 114.6 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.85 116.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -110.07 10.81 24.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.84 167.41 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 34.4 tttp -170.35 139.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t -144.52 154.04 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.72 151.03 5.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.64 103.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' CE2' ' A' ' 90' ' ' TRP . 12.6 mt -103.27 143.07 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -86.34 99.39 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 22.5 tptp -97.81 147.72 24.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 24' ' ' MET . 24.8 tp -108.33 73.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.478 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -73.62 -61.19 1.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 110.848 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 18' ' ' SER . 54.1 Cg_endo -69.72 -177.79 2.03 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -110.61 131.27 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.92 159.03 23.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ARG . 8.5 pttm -69.66 114.47 7.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' LYS . 27.0 mmt180 36.22 45.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -111.96 114.51 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -112.1 164.58 13.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -128.11 135.57 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -74.21 110.75 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' NH1' ' CG ' ' A' ' 41' ' ' ASN . 6.3 mmm180 -128.56 145.03 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -88.33 117.1 27.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG22 ' HB2' ' A' ' 39' ' ' TYR . 21.5 t -112.48 142.11 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -143.52 130.88 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -108.59 128.94 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.86 -33.2 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.49 -13.21 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.21 -42.97 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 51' ' ' ILE . 32.6 p -153.33 161.71 42.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.485 HD11 HD21 ' A' ' 94' ' ' LEU . 64.8 mt -96.87 109.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -100.42 112.88 25.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' HB2' HG22 ' A' ' 30' ' ' VAL . 22.0 p90 -119.67 122.86 42.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -115.34 -175.62 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' CG ' ' NH1' ' A' ' 28' ' ' ARG . 14.7 p-10 -151.65 163.2 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.05 91.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.28 119.72 9.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -103.44 -61.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.29 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 mtm -118.99 177.87 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -137.9 129.84 28.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 p -118.89 113.27 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -62.36 144.71 55.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.7 114.11 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.409 HD11 ' OG ' ' A' ' 36' ' ' SER . 12.8 tt -149.9 141.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.3 mt -115.97 115.64 40.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.81 124.4 11.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -45.03 -32.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 p -60.76 -45.17 95.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -54.31 -48.5 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.9 mt -54.1 107.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -82.21 -47.17 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.9 t -158.95 163.62 36.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.3 t -131.46 139.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -140.69 146.21 37.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.46 147.42 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -111.11 151.24 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -37.36 -70.41 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.19 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.33 55.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -146.45 166.26 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 10.9 p90 -135.68 149.6 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 19.2 tt0 -103.62 138.27 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t -120.85 101.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.3 137.27 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' THR . 19.1 p -114.38 -175.19 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' THR . 22.6 m -34.03 -52.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.14 -52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -179.85 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.408 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 19.7 m -138.77 145.68 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -112.89 164.2 13.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.13 133.22 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 45.0 m-85 -130.85 146.29 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -120.88 132.88 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.21 168.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -105.08 -25.15 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -120.53 167.51 12.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -77.59 -55.12 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -49.28 -42.45 41.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ARG . 75.7 mt-10 -51.08 -55.71 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' GLU . 7.4 ttm105 -34.39 -61.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -60.94 -48.25 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.02 -66.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.472 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.9 m95 -43.63 -60.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LEU . 74.3 mt -50.97 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' ILE . 7.4 t -37.18 -49.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 84.0 mt -57.13 -42.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.485 HD21 HD11 ' A' ' 37' ' ' ILE . 65.6 mt -65.79 -64.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 98' ' ' LEU . 25.7 mt -47.57 -49.62 26.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.65 -34.28 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.38 -18.74 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 95' ' ' LEU . 16.7 mt -85.0 -33.51 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -68.7 -29.55 68.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -64.09 -44.35 92.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -42.11 -41.0 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -95.6 125.68 40.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.8 p -134.47 137.19 43.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 t -74.83 -49.76 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -48.88 125.92 11.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.4 m 54.54 51.48 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -64.04 129.99 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 53.18 44.46 30.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.049 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.3 t -108.88 115.54 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.97 148.47 18.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 132.17 22.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 m -90.5 104.5 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -67.75 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -61.31 142.74 56.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -48.17 150.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.62 -158.04 8.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.417 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -60.74 167.94 2.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -88.78 124.93 34.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.97 109.68 0.35 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.544 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -107.91 16.18 23.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.87 175.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG2' ' CZ2' ' A' ' 90' ' ' TRP . 20.3 tttp -166.22 150.45 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.5 p -152.23 129.43 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.7 167.15 38.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 78.9 m95 -69.6 104.64 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.646 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 84.4 mt -111.27 142.74 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.02 145.56 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -123.92 140.86 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.0 93.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.6 t -134.31 58.1 28.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 127.12 14.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -128.81 42.25 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.96 -90.05 0.57 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -77.01 -52.15 9.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -73.34 162.75 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.4 mmm -124.27 -57.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -105.98 162.04 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -136.04 124.3 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -74.16 122.94 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 30' ' ' VAL . 14.4 mmp_? -145.44 119.73 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -45.25 143.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 28' ' ' ARG . 61.0 t -141.42 145.21 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -149.12 140.98 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 39.9 t80 -125.63 145.06 50.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -125.59 -41.07 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 153.96 -31.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.0 mt -87.25 -48.69 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.559 ' OG ' HD11 ' A' ' 51' ' ' ILE . 66.0 p -154.78 175.17 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.46 114.57 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.6 m -98.87 119.02 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 44.4 p90 -124.09 123.13 39.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 38' ' ' SER . 2.1 m-85 -119.86 168.59 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.3 169.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.39 -55.46 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -99.38 -43.23 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.21 84.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.86 94.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 mtt -143.62 169.94 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -89.29 40.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.7 m -54.56 117.45 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -89.26 83.91 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 39' ' ' TYR . . . -123.39 105.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.559 HD11 ' OG ' ' A' ' 36' ' ' SER . 11.6 tt -143.68 151.76 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 41.0 mt -126.53 112.76 23.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.77 124.72 11.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 57' ' ' ILE . 3.2 tp -46.1 -39.86 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.7 t -56.3 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -55.29 -47.44 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 54' ' ' LEU . 31.7 mt -52.45 113.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -87.31 -55.86 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -149.88 169.68 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.82 142.44 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -151.07 130.67 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.717 HG11 ' HE ' ' A' ' 87' ' ' ARG . 26.3 m -67.61 130.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -125.68 146.71 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.51 -140.28 37.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.38 133.57 55.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 m120 47.8 42.76 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -147.56 162.32 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 43.7 p90 -150.49 156.35 41.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -110.16 121.4 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.4 t -100.64 93.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.43 135.76 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.3 p -103.5 179.09 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ALA . 1.9 t -39.66 -38.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -134.96 -62.75 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -69.23 177.24 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 97.8 m -139.21 132.33 29.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.29 171.39 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -140.97 144.19 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 40.6 m-85 -140.82 163.57 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -138.6 136.48 36.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.72 177.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -111.65 -18.48 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -133.58 160.35 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.46 -54.76 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.73 -37.93 63.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -44.31 69.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.717 ' HE ' HG11 ' A' ' 62' ' ' VAL . 14.7 ttt180 -52.11 -59.5 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.37 -47.35 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.1 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.646 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.0 m95 -51.12 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.674 HD11 HG12 ' A' ' 62' ' ' VAL . 68.3 mt -47.16 -58.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -45.21 -49.66 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 77.7 mt -55.77 -51.7 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.41 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 98' ' ' LEU . 73.5 mt -54.45 -48.18 72.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -51.46 -44.03 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.85 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 95' ' ' LEU . 20.3 mt -50.67 -40.14 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -63.42 -44.38 94.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -62.12 -59.55 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.542 ' OE1' HD21 ' A' ' 54' ' ' LEU . 10.6 pt20 -52.76 -44.6 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 7.4 t -36.66 -42.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.86 127.61 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.7 p 45.76 43.54 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.6 p -91.41 168.83 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -128.95 94.78 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 t -118.36 96.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -172.03 178.3 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.28 41.97 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.4 t 50.66 43.27 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 156.65 89.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 117.16 4.92 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.63 2.22 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -84.16 117.9 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.7 m -139.01 150.35 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -144.79 145.27 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -91.55 168.68 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.98 99.93 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -121.01 163.94 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -111.6 137.26 49.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.79 129.95 6.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -103.81 12.59 34.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.34 162.73 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 13.2 tttm -161.91 149.63 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -154.68 128.07 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.53 168.98 39.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -76.29 107.17 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 mt -108.34 160.53 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.33 123.11 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -104.71 158.98 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 25' ' ' PHE . 21.2 tp -100.34 78.27 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.535 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.1 t -60.1 -58.43 19.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.7 Cg_endo -69.78 141.68 45.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.7 141.36 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.17 60.75 2.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -156.28 136.58 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -77.21 76.93 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -167.58 131.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 2.8 m-85 -125.92 147.35 49.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -85.15 148.99 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -108.32 102.28 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -130.05 150.14 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -73.42 132.5 43.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 39' ' ' TYR . 79.7 t -122.35 151.26 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -150.63 140.04 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 93' ' ' ILE . 19.7 t80 -118.91 125.15 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.29 1.58 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 99.14 -20.54 49.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.22 -41.36 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 p -153.08 163.34 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD11 HD21 ' A' ' 94' ' ' LEU . 51.0 mt -105.96 99.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -96.34 126.12 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.571 ' HB3' HG22 ' A' ' 30' ' ' VAL . 52.1 p90 -121.29 130.74 53.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 6.1 m-85 -118.06 -178.19 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -116.07 111.91 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.75 106.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -173.83 159.45 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -78.97 68.96 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -157.32 153.31 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 mtp -98.83 92.48 5.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -146.02 116.52 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.6 p -123.52 101.66 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -155.67 107.23 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.13 90.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.5 tt -146.11 142.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -112.53 114.56 50.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 52.9 Cg_endo -69.79 125.96 12.74 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -47.4 -32.71 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -60.34 -37.02 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -61.04 -43.53 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.47 111.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -92.52 -31.07 15.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -170.13 151.5 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.415 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 39.9 t -123.01 142.41 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -142.01 142.99 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.43 149.69 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -107.11 148.44 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.2 13.11 16.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASN . 7.6 m-20 -132.57 64.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 35.88 37.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -140.43 176.22 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 12.8 p90 -150.98 143.21 24.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.28 134.01 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.34 107.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.8 124.8 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.0 p -133.13 163.86 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -56.6 -60.75 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -46.97 -66.79 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -167.09 150.53 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 98.6 m -61.04 134.73 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -113.53 169.46 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.3 t -145.88 113.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 61.1 m-85 -106.42 172.19 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -142.47 149.67 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.2 m -122.62 173.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.06 -35.44 10.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -118.81 149.14 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.92 -46.57 90.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.461 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 68.8 mm-40 -51.54 -43.79 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.85 -43.87 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.12 -53.62 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.1 p30 -65.23 -45.22 85.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 14.8 t70 -52.99 -59.01 5.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.516 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 54.0 m95 -46.73 -65.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 94' ' ' LEU . 77.1 mt -48.91 -61.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -38.48 -42.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 80.0 mt -66.43 -39.5 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 37' ' ' ILE . 42.0 mt -67.09 -54.45 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.07 -43.96 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -59.43 -41.65 90.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.49 73.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.69 -44.61 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -47.55 -26.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -73.9 -51.61 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.04 -3.24 24.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -92.01 93.57 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 104' ' ' THR . 33.5 mt -138.38 169.8 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 104' ' ' THR . 12.0 t 32.16 41.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -99.57 172.9 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.7 56.8 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -168.68 162.0 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -105.92 91.98 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.71 89.76 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 m -65.09 122.88 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -106.17 145.69 15.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.57 65.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 p -72.76 103.17 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 m -116.7 -48.67 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.517 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -83.57 94.87 8.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -105.87 113.47 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.57 130.88 10.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -138.41 111.85 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -93.66 171.08 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.87 64.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -90.41 5.87 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.98 171.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 16.4 tttm -171.54 147.34 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p -150.28 145.46 26.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.61 161.35 24.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.34 118.58 9.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 30' ' ' VAL . 73.2 mt -123.31 132.45 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.57 99.86 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -89.11 145.45 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.7 tt -104.37 72.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.505 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -71.18 -59.25 3.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 18' ' ' SER . 54.0 Cg_endo -69.74 160.68 48.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -126.9 154.52 44.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.89 -68.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.528 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -82.5 169.74 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' MET . 16.0 mmt85 -85.8 -43.21 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.3 mtt -35.33 127.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CE2' HD12 ' A' ' 17' ' ' LEU . 39.1 m-85 -93.09 176.25 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -117.56 120.13 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -81.72 118.05 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -144.56 133.9 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -62.17 140.26 58.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HB ' HD12 ' A' ' 14' ' ' LEU . 36.2 t -134.61 136.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -140.86 152.39 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.457 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 44.2 t80 -128.27 147.69 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.49 -43.04 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 152.19 -21.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 9.6 mt -106.5 -41.71 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 51' ' ' ILE . 2.2 m -154.36 167.67 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mt -106.02 116.0 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -95.86 113.08 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -117.21 125.49 51.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -114.3 168.88 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ASN . 4.0 m-80 -82.49 129.48 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASN . 2.1 p30 -34.8 -39.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -90.96 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 93.65 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -107.45 -56.93 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.1 mmt -45.51 -40.81 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -131.19 117.6 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.6 p -174.13 157.33 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -119.59 167.1 12.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 105.13 2.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 36' ' ' SER . 13.9 tt -145.18 143.83 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -110.89 113.02 55.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.727 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.79 125.72 12.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 20.0 tp -45.35 -31.92 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 p -62.07 -42.04 98.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -53.43 -45.39 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -55.55 98.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -80.68 -47.28 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -157.33 148.26 21.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.46 HG11 HG12 ' A' ' 91' ' ' ILE . 59.5 t -119.58 137.69 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.2 ptm85 -146.29 147.14 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -78.96 140.45 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.3 142.34 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.88 -154.13 43.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 66' ' ' ASN . 2.3 m-20 -105.14 130.19 53.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 47.47 37.61 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -142.86 163.6 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.2 p90 -151.16 156.83 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 4.6 tt0 -105.16 118.25 36.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.493 HG12 HG23 ' A' ' 72' ' ' THR . 72.9 t -99.35 94.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.76 111.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.493 HG23 HG12 ' A' ' 70' ' ' VAL . 55.0 p -115.6 164.86 13.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 m -68.48 -44.79 74.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.86 -56.96 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.2 ptp180 -174.94 121.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' ARG . 28.3 m -34.91 141.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -121.52 135.72 55.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.92 127.17 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 35.9 m-85 -126.55 153.26 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -129.26 135.29 48.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -99.01 175.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.26 -31.87 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -131.39 145.34 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.9 tp10 -50.46 -57.52 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -37.84 -50.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' ARG . 52.9 mt-10 -53.51 -49.9 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' NH2' ' OE1' ' A' ' 84' ' ' GLU . 7.8 ttm180 -38.0 -54.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -66.86 -41.33 87.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -52.01 -64.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.502 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 77.8 m95 -45.98 -62.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.46 HG12 HG11 ' A' ' 60' ' ' VAL . 97.3 mt -47.91 -46.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 t -58.4 -48.76 79.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 90.2 mt -55.28 -44.56 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.52 -52.5 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.46 -49.83 69.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -52.28 -37.73 56.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.53 -53.79 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.76 -25.79 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -72.79 -30.02 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t -82.4 -44.72 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -79.78 -12.04 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -154.92 127.76 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.74 169.27 8.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.9 t -151.28 139.44 20.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 t -86.28 77.51 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -138.72 148.18 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -53.81 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.4 154.67 40.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.32 140.51 29.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.418 ' C ' ' HD3' ' A' ' 112' ' ' PRO . 69.4 p -63.7 126.4 27.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.82 66.51 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.418 ' HD3' ' C ' ' A' ' 110' ' ' SER . 53.6 Cg_endo -69.69 141.67 46.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -113.22 111.93 22.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -150.46 116.43 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -50.81 -53.84 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -99.4 114.65 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.17 165.71 12.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 p -98.85 109.18 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -123.44 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.8 130.58 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.446 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -120.6 5.46 10.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.79 163.52 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 27.8 tttp -168.16 140.67 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 p -141.58 121.34 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 163.99 34.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -78.96 99.05 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 80' ' ' ARG . 14.3 mt -105.83 165.89 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD2' ' CD ' ' A' ' 80' ' ' ARG . 33.0 m-20 -98.88 144.12 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 91.98 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.8 tt -70.02 70.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.502 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.2 t -75.12 -59.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.659 0.742 . . . . 0.0 110.827 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.7 Cg_endo -69.76 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -165.16 152.72 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.9 -123.6 6.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -71.72 -32.18 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.902 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 21.7 mtt180 -132.97 90.51 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ptp -101.04 -49.17 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.78 118.48 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -118.91 175.29 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -123.09 120.55 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -145.57 132.28 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 42.0 t-105 -61.62 142.33 57.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.6 t -127.83 150.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -156.67 127.21 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 20.0 t80 -105.65 138.56 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -120.08 -0.76 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 104.76 -35.58 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 35' ' ' LEU . 6.4 mp -84.47 -55.06 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.779 ' OG ' HD11 ' A' ' 51' ' ' ILE . 82.8 p -147.31 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.37 114.42 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -109.17 122.85 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -122.73 141.05 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CZ ' ' CD1' ' A' ' 29' ' ' TRP . 1.9 p90 -141.61 173.67 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -88.79 166.14 14.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -77.25 -13.52 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 7.9 tp10 -93.56 -53.59 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 16.8 ptpt 44.92 32.82 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -82.33 12.54 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.5 tpp -161.22 147.53 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -39.67 134.84 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.7 p -141.81 160.35 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -148.79 153.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.59 108.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.779 HD11 ' OG ' ' A' ' 36' ' ' SER . 18.9 tt -150.49 147.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.1 mt -118.14 113.37 37.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.0 Cg_endo -69.71 132.13 22.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.76 -41.18 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.4 t -52.5 -48.67 65.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -49.54 -49.54 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.433 HG23 HG13 ' A' ' 70' ' ' VAL . 73.6 mt -53.15 115.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 -55.72 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -155.29 144.01 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.73 139.26 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -132.15 161.06 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.37 135.99 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 64' ' ' GLY . 24.3 mt-30 -100.08 167.47 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -35.07 -89.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.86 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -73.5 66.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -144.43 172.18 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 34.7 p90 -153.34 160.14 42.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.597 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -118.74 142.0 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 57' ' ' ILE . 58.2 t -114.28 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.94 133.11 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 p -139.31 171.13 14.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.3 m -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.73 -64.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.6 ptp180 -166.52 137.05 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.7 m -53.94 135.89 41.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 49.7 m-85 -113.67 162.8 15.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG22 ' CD ' ' A' ' 69' ' ' GLU . 22.9 t -127.35 127.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 64.9 m-85 -134.98 133.58 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.662 ' O ' HD22 ' A' ' 14' ' ' LEU . 7.4 ptm180 -109.26 165.98 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 90' ' ' TRP . 9.3 m -116.04 175.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -102.22 -19.17 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -146.06 164.15 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.43 -38.78 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 87' ' ' ARG . 16.5 mt-10 -56.98 -57.21 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.532 ' HA ' HG11 ' A' ' 81' ' ' VAL . 46.7 ttp180 -35.32 -60.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.78 -39.31 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 90' ' ' TRP . 0.8 OUTLIER -64.99 -72.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.542 ' CD1' HG12 ' A' ' 81' ' ' VAL . 58.2 m95 -35.96 -42.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -74.06 -45.27 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' ASP . 22.7 m -59.88 -32.81 71.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.69 -57.01 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.23 -55.41 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -49.44 -53.4 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.09 -36.35 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.58 -15.11 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.24 -43.84 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -35.91 80.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -58.23 -40.68 82.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -47.84 -46.67 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 t -48.43 -54.96 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.55 155.94 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -46.43 144.18 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -172.47 163.45 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.51 41.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -111.97 138.92 47.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -95.22 86.35 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.2 163.13 28.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.5 p -143.75 145.41 32.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.37 146.2 9.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 177.48 5.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -127.02 169.12 13.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.0 t 66.29 42.92 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -150.72 138.67 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.9 p -131.57 94.0 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.95 154.93 9.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 p -159.14 109.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 113.64 2.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -117.15 7.2 12.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 m -142.5 167.58 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HB2' HD13 ' A' ' 93' ' ' ILE . 29.9 tttp -162.32 138.66 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.8 p -143.66 117.71 9.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.17 -159.75 9.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.8 107.49 18.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' HG12 ' A' ' 81' ' ' VAL . 52.0 mt -117.11 138.61 51.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.34 121.21 29.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 18' ' ' SER . 22.3 tptm -87.19 115.65 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 6.9 tt -61.07 75.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.611 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -85.76 -68.46 0.15 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.7 0.762 . . . . 0.0 110.871 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.8 Cg_endo -69.81 -169.51 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -124.22 104.94 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.47 169.72 32.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -94.55 68.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' PHE . 47.0 mtt180 -155.64 174.84 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' PHE . 5.0 mpp? -51.8 86.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.524 ' CG ' ' HA ' ' A' ' 17' ' ' LEU . 10.2 m-85 -35.92 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -164.9 111.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -74.34 119.07 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -150.2 134.24 16.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -62.32 127.94 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 39' ' ' TYR . 99.0 t -121.03 147.97 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -142.43 150.66 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 21.7 t80 -136.32 121.8 19.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -114.63 11.16 16.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 97.87 -44.76 1.78 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.52 -55.52 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.513 ' HB3' HD11 ' A' ' 51' ' ' ILE . 11.1 t -153.42 172.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.53 103.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.466 ' CA ' HG13 ' A' ' 51' ' ' ILE . 1.5 t -105.28 130.34 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.615 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.5 p90 -117.25 134.21 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -127.96 174.41 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -110.87 137.82 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -50.67 -62.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' LYS . 45.5 mt-10 -49.85 146.59 4.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLU . 42.4 tttt -34.78 146.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -147.51 156.99 43.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 3.6 mpp? -132.85 127.18 33.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 46' ' ' MET . 17.1 p90 37.82 50.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -65.21 156.97 30.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -134.68 158.92 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 130.56 88.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 36' ' ' SER . 3.9 tt -144.13 151.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mt -124.16 113.37 28.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.35 10.99 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 57' ' ' ILE . 5.7 tp -40.79 -42.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.606 ' HA ' HE22 ' A' ' 101' ' ' GLN . 22.0 p -48.3 -50.3 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.8 59.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 54' ' ' LEU . 76.2 mt -50.73 105.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -84.28 -44.1 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -169.93 155.7 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.785 HG11 HG12 ' A' ' 91' ' ' ILE . 46.9 t -113.71 135.98 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -140.73 123.66 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -55.27 139.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' GLY . 20.1 tt0 -139.6 163.98 31.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 35.88 -154.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.2 136.34 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 39.17 38.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -136.52 164.76 27.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 16.4 p90 -146.91 146.97 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 8.0 tt0 -105.27 116.32 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -92.95 100.3 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -66.87 131.5 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.6 p -138.99 156.54 47.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 m -60.08 -53.51 56.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -55.63 -62.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 13.1 ptm180 -170.01 125.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.425 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 32.7 m -43.41 134.57 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 50.7 m-85 -118.5 142.28 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 t -111.93 140.6 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 13.4 m-85 -131.03 137.45 49.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.61 135.88 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG12 ' CD2' ' A' ' 14' ' ' LEU . 27.2 m -112.06 161.01 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -79.0 -18.18 54.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -143.63 145.68 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 16.9 pt-20 -53.84 -53.65 49.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 10.3 mt-10 -36.23 -45.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.09 -43.47 98.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.2 tmm_? -54.68 -45.3 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -72.81 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.6 m-20 -58.86 -65.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.504 ' HA ' HD12 ' A' ' 93' ' ' ILE . 69.4 m95 -39.14 -52.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.785 HG12 HG11 ' A' ' 60' ' ' VAL . 87.5 mt -52.56 -63.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.3 t -45.77 -41.03 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 90' ' ' TRP . 38.4 mt -64.37 -58.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.4 mt -50.28 -51.75 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.87 -52.97 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -46.91 -40.67 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.2 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.8 mt -58.55 -43.64 89.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -46.96 -38.27 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -59.11 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.606 HE22 ' HA ' ' A' ' 55' ' ' SER . 15.3 mt-30 -44.93 -29.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.996 ' C ' HD23 ' A' ' 103' ' ' LEU . 14.5 m -77.35 175.17 10.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.996 HD23 ' C ' ' A' ' 102' ' ' SER . 1.3 pt? 37.54 49.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.1 t -85.33 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.6 p -53.0 -34.83 58.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -80.5 169.26 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 m -54.87 127.06 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.21 176.22 9.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.96 113.84 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -140.16 176.09 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -163.65 85.3 0.11 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 175.81 7.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -154.82 179.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t 65.57 46.99 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 49.59 42.3 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.889 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -95.19 92.75 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.49 111.89 1.03 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -51.61 105.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -149.44 110.56 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.53 108.73 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -85.35 5.5 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.57 167.78 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HE2' ' CD1' ' A' ' 90' ' ' TRP . 30.0 tttp -164.85 139.3 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.2 p -151.52 119.96 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.97 168.51 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -71.39 110.01 5.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.8 mt -112.91 164.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -108.04 113.2 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.7 tptm -85.22 97.75 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 7.3 tt -62.67 74.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -74.08 -61.44 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 54.4 Cg_endo -69.79 -179.08 2.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.367 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -125.05 105.83 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.16 71.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 15.7 tttp -165.31 115.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' LYS . 15.5 ttm180 -36.24 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' PHE . 1.3 ptt? -96.33 74.44 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.635 ' CZ ' HD12 ' A' ' 17' ' ' LEU . 2.2 m-85 -35.6 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.449 HE21 ' HB2' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -162.69 178.53 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.97 134.02 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -161.59 131.37 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -63.96 135.41 56.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.1 144.56 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 82.6 tttt -146.97 157.61 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 25.8 t80 -132.12 141.89 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.37 -43.69 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 -9.48 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -120.12 -40.0 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -153.46 159.86 42.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 mt -98.38 117.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.746 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.8 p -105.68 117.2 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -122.4 131.26 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -124.7 156.44 37.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -92.14 170.18 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' OD1' ' C ' ' A' ' 42' ' ' ASN . 2.2 t30 -76.74 -47.27 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -51.92 140.1 20.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -39.61 143.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.97 111.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ttp -117.11 67.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.8 m-85 43.9 36.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 p -125.93 88.3 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -100.31 163.64 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.25 123.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 38' ' ' SER . 2.4 tp -143.43 132.6 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -106.42 113.23 63.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.8 Cg_endo -69.73 123.49 10.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 97' ' ' ALA . 10.0 tp -45.69 -29.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -62.35 -44.27 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -55.31 -42.32 73.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.22 117.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -98.36 -48.41 5.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 t -162.0 155.73 21.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.78 148.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -147.15 145.32 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -81.55 140.84 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -133.61 162.66 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.17 -122.31 17.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.37 -46.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.91 33.69 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -129.93 167.03 18.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 3.6 p90 -150.61 161.66 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -119.49 132.52 55.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.76 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.11 116.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -117.06 149.59 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 73' ' ' THR . 7.7 m -60.56 -12.09 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -99.35 -70.3 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 44.4 mtt-85 -152.77 120.87 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.0 m -52.86 135.85 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' ARG . 13.0 m-85 -124.93 146.58 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.93 121.27 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 17.6 m-85 -114.84 132.34 56.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -112.94 142.44 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 87' ' ' ARG . 1.1 m -106.17 167.91 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.29 -18.87 23.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -146.04 131.62 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -40.61 -55.79 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 22.4 tt0 -38.02 -50.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -52.57 -49.3 65.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' HB2' HG21 ' A' ' 81' ' ' VAL . 28.6 ttp180 -42.91 -60.22 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 2.6 t70 -61.93 -63.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.549 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 75.3 m95 -46.11 -53.04 11.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 52.4 mt -57.51 -49.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -54.83 -39.78 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 10' ' ' LYS . 41.7 mt -68.83 -46.76 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.45 -52.9 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' A' ' 98' ' ' LEU . 33.4 mt -59.02 -34.29 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -75.49 -16.93 60.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' O ' HD21 ' A' ' 54' ' ' LEU . . . -90.58 -21.49 21.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 95' ' ' LEU . 15.4 mt -82.62 -19.14 38.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -84.43 -28.92 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -74.48 -31.52 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -89.04 -10.15 48.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.4 t -71.91 -18.19 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.62 131.5 40.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.9 m -43.38 119.57 1.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -123.13 158.62 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 91.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.7 p -165.1 142.75 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -64.9 143.33 58.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -160.54 137.06 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.1 p -124.64 148.96 47.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.48 83.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 1.78 4.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.2 p -124.73 142.22 51.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -87.01 -47.36 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -68.12 92.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -157.67 119.37 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 -167.62 15.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -107.32 -43.94 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -78.3 144.04 36.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.13 48.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -112.23 12.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.01 170.3 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 93' ' ' ILE . 20.4 tttt -173.6 143.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -150.28 133.65 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.57 149.6 14.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 73.6 m95 -63.11 105.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 90' ' ' TRP . 27.5 mt -121.72 162.3 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.37 120.43 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HE3' ' CZ ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -101.0 125.35 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -95.57 118.62 32.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.434 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.8 t 70.82 54.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 18' ' ' SER . 54.0 Cg_endo -69.75 -11.51 30.99 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.07 -59.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.32 -47.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 8.7 tmtm? -170.34 118.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -174.88 157.26 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 ttp -60.4 171.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -46.51 100.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.15 102.26 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -46.3 129.93 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -159.22 133.06 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 4.7 t-105 -69.01 129.43 39.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG13 ' CG2' ' A' ' 37' ' ' ILE . 92.5 t -111.38 138.17 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 15.5 tttt -131.81 144.39 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.432 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 31.4 t80 -129.7 126.37 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.76 28.99 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 83.62 -48.62 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 mt -70.64 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -141.03 171.02 14.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.516 ' CG2' HG13 ' A' ' 30' ' ' VAL . 19.2 mt -103.13 108.35 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.791 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.0 t -101.16 114.82 29.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -108.15 138.17 44.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -126.13 178.64 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 46' ' ' MET . 23.5 p30 -118.84 174.87 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -48.5 176.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.58 89.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -164.95 174.11 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.14 41.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.428 ' HB2' ' ND2' ' A' ' 41' ' ' ASN . 5.3 mtp -62.94 -56.56 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -157.2 133.61 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -104.6 44.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.67 149.35 33.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.61 88.47 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 38' ' ' SER . 3.1 tp -141.98 139.45 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.69 112.07 48.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.5 Cg_endo -69.79 127.15 14.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.9 tp -46.72 -39.89 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -52.75 -47.7 67.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 72' ' ' THR . . . -49.29 -50.7 38.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt -47.7 91.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 53.0 m -76.48 -43.29 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.1 t -166.73 150.08 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.0 t -121.0 141.59 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -148.29 136.77 21.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -69.93 133.81 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -142.56 135.25 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.22 -154.97 51.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.54 130.35 49.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m120 45.67 42.24 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -146.79 161.88 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 15.4 p90 -144.03 173.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.57 ' OE2' HG21 ' A' ' 76' ' ' THR . 24.8 tt0 -121.78 130.97 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.3 t -115.4 102.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -75.91 130.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.481 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 65.7 p -138.46 165.87 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 m -59.86 -60.27 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -50.05 -63.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.1 137.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.57 HG21 ' OE2' ' A' ' 69' ' ' GLU . 31.7 m -57.01 141.49 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.73 166.61 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -131.42 117.97 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 39.8 m-85 -105.31 150.41 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -128.37 126.88 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -97.78 172.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.15 -21.64 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -143.76 158.61 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.75 -54.6 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -39.61 -54.03 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -49.92 -40.11 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -53.99 -55.76 24.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -65.14 -43.6 91.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.15 -60.91 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.511 ' CE2' HD11 ' A' ' 14' ' ' LEU . 67.7 m95 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' PHE . 82.8 mt -50.21 -46.57 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -58.2 8.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 10' ' ' LYS . 81.9 mt -45.22 -50.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 37' ' ' ILE . 28.0 mt -55.53 -61.23 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 92.0 mt -49.74 -50.25 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -54.2 -44.11 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.41 75.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.51 -42.36 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -54.73 -45.97 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -52.41 -51.97 56.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -72.52 -24.5 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -113.58 90.23 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 103' ' ' LEU . 1.2 pp -174.81 133.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.8 t -78.77 140.26 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 p -67.8 144.02 55.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -129.85 126.19 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.6 p -40.86 111.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.86 177.01 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.15 105.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t -55.56 101.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.74 125.97 31.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.88 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 p -173.6 126.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' GLY . 47.6 t -88.64 -50.2 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -153.38 153.53 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -150.69 166.47 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.36 81.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -68.62 -58.66 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -90.86 98.52 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.3 91.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HG2' HG13 ' A' ' 9' ' ' VAL . 3.7 pttm -125.22 -4.04 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG13 ' HG2' ' A' ' 8' ' ' LYS . 28.8 m -132.63 166.42 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 34.5 tttp -173.3 142.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.5 p -149.08 131.27 15.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.7 -177.68 40.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 14.3 m95 -78.0 96.81 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -103.25 123.55 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 127.05 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -104.56 152.58 22.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.1 tt -79.24 104.46 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -79.7 -66.19 0.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.692 0.758 . . . . 0.0 110.848 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.5 Cg_endo -69.77 137.74 36.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -36.71 -66.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.85 162.78 49.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -77.42 92.83 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -130.3 -55.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 mtp -128.31 151.27 49.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -115.41 146.06 41.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -112.64 126.21 55.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 10.3 tppt? -74.15 145.48 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.87 137.57 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.6 t-105 -79.33 106.11 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 13.2 t -109.96 140.57 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -143.01 132.27 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -104.48 121.2 42.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -99.12 -8.43 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.81 -36.79 3.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.03 -51.92 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.9 m -151.49 170.38 19.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 21.7 mt -102.44 113.6 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -107.56 131.2 54.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 1.5 p90 -114.19 167.28 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 2.1 m-85 -158.7 143.59 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -79.5 51.15 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 t30 43.83 37.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -156.27 139.69 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -79.48 86.24 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -123.34 143.83 49.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.2 mtt -78.73 -61.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -53.67 -176.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m 55.11 35.86 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -60.12 131.45 50.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.546 ' C ' ' CZ ' ' A' ' 39' ' ' TYR . . . -152.97 113.97 0.6 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.36 142.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.3 mt -105.71 113.2 64.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.717 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.14 44.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.21 -37.37 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 p -54.96 -46.73 75.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -43.37 62.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 HD11 ' A' ' 98' ' ' LEU . 66.9 mt -58.84 106.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -91.16 -35.07 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -168.29 146.62 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.56 139.92 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.64 169.51 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.97 150.41 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' GLY . 3.5 tp-100 -133.43 144.33 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 36.39 -134.88 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.55 124.74 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.6 35.25 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -142.2 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 25.4 p90 -150.69 153.94 36.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.72 136.63 52.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 HG23 ' A' ' 72' ' ' THR . 87.6 t -107.11 113.12 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.171 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.22 109.02 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.43 HG23 HG12 ' A' ' 70' ' ' VAL . 44.0 p -118.43 156.62 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -54.3 -61.43 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -46.15 -60.46 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -173.24 135.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -56.11 134.37 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -110.82 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.6 139.54 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 24.8 m-85 -140.31 141.72 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -118.91 147.43 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 m -115.1 175.96 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -103.06 -38.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -116.64 142.91 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -50.45 -50.1 53.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' ARG . 23.6 mt-10 -50.19 -53.88 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' GLU . 11.6 ttm180 -36.24 -69.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -51.25 -51.69 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -46.44 -63.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.486 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 82.9 m95 -48.0 -59.54 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 54.1 mt -49.62 -66.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -42.95 -53.44 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.67 -57.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -50.5 -56.66 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.3 mt -51.29 -50.07 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -54.1 -43.2 70.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.35 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 57' ' ' ILE . 80.2 mt -71.2 -53.43 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -61.48 -31.18 71.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -60.49 -45.59 93.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -42.38 -36.56 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -103.79 99.52 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.55 175.49 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -121.2 26.79 8.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.5 m -140.26 173.52 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -89.36 120.0 30.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 m -74.3 125.11 27.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 109' ' ' ALA . 12.5 tt0 -103.17 141.52 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 108' ' ' GLN . . . -34.09 136.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.5 t -148.58 164.59 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -154.12 82.84 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.91 67.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.0 t -146.9 178.8 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.0 t -172.51 161.25 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -137.21 114.16 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -56.51 153.37 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.13 116.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m -102.09 90.47 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -117.08 106.3 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.49 62.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -88.11 17.06 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.52 154.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 22.5 tttm -157.64 135.56 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -148.63 141.68 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.15 -159.79 21.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -108.13 97.85 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 16.2 mt -111.41 156.63 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.98 150.09 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.17 131.89 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 30.5 tp -98.8 77.85 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.492 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -68.23 -60.29 5.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.3 Cg_endo -69.77 151.07 68.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -113.5 151.76 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.63 -62.59 4.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -73.99 107.81 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -55.55 94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.6 ttm -162.77 130.5 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 17' ' ' LEU . 32.8 m-85 -111.03 -178.78 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -139.79 130.38 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -80.01 103.79 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' CD ' ' HB3' ' A' ' 41' ' ' ASN . 15.1 mmt85 -124.63 125.35 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -66.49 123.6 20.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 26.3 t -115.36 150.82 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -151.86 126.47 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 21.0 t80 -100.44 133.61 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -112.88 9.09 18.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 93.47 -23.96 27.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.54 -48.47 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.4 m -151.22 164.76 35.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.531 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 48.0 mt -94.1 104.01 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -93.2 110.15 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -120.03 139.6 52.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -132.82 -175.27 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 1.2 p-10 -136.44 137.81 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -87.0 45.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -146.38 175.11 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -53.51 152.78 4.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -43.92 136.22 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mmm -140.73 174.4 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -86.6 116.26 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 p -165.95 165.86 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -62.19 -62.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.74 -56.97 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.9 tt -150.34 137.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 mt -102.6 114.59 65.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.9 Cg_endo -69.74 137.24 35.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.324 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tp -55.48 -35.08 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.2 p -58.41 -41.84 85.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -52.55 -46.22 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.49 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 t -74.43 -42.63 58.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -162.79 136.7 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -111.93 142.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.6 ptm85 -149.07 157.45 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.419 HG12 ' CD1' ' A' ' 91' ' ' ILE . 23.1 m -83.35 147.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . 84.5 mt-30 -110.98 147.51 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.71 -71.99 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.96 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -76.02 52.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -145.15 172.28 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.9 p90 -133.9 156.87 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.92 132.63 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.8 t -118.44 97.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.94 121.75 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 75.6 p -115.42 -178.77 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.58 -26.02 32.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.7 -66.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 6.2 ptm180 -154.6 123.26 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.8 m -44.5 137.3 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.45 147.46 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.01 107.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 56.0 m-85 -103.47 144.23 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -117.29 146.42 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.7 m -109.99 175.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -99.96 -21.84 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -137.68 144.4 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -49.74 -41.07 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.09 -58.82 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.76 -38.35 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -49.48 -59.25 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.58 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.95 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.784 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 62.6 m95 -39.51 -62.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 92' ' ' SER . 75.6 mt -43.97 -67.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' ILE . 23.4 m -35.58 -58.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.87 -51.78 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.92 -52.53 65.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.2 mt -52.25 -44.09 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 18.0 t-20 -66.18 -38.0 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -28.04 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.8 mt -72.68 -45.64 57.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 ptpp? -69.61 -37.33 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 m -50.76 -43.19 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -45.3 -48.41 13.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -56.84 -52.14 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' SER . 36.2 mt -57.3 135.73 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' SER . 5.7 t 37.67 29.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' LEU . 56.7 p -34.74 133.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -155.77 176.3 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.2 p -130.42 114.32 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -142.85 143.98 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.513 ' N ' ' CD ' ' A' ' 108' ' ' GLN . . . -129.61 120.01 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -100.03 152.16 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.43 ' HA2' ' HD2' ' A' ' 112' ' ' PRO . . . -93.28 106.68 3.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.43 ' HD2' ' HA2' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.77 178.54 4.47 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.0 p -137.82 149.34 46.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.7 p -122.87 27.38 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -143.9 171.06 14.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 113.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 m -127.43 123.92 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -93.45 105.83 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.6 134.82 5.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -101.12 6.12 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 m -134.42 177.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 23.3 tttp -163.32 138.1 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -147.6 120.23 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 29' ' ' TRP . . . -171.03 164.27 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 91.1 m95 -63.71 110.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.4 mt -109.22 127.71 54.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.43 115.14 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -111.27 145.79 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -87.01 71.58 10.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.497 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -63.3 -60.34 9.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.5 Cg_endo -69.76 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -95.81 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.95 75.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -115.24 -58.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -99.63 -68.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 tpt -167.2 154.8 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -47.38 161.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' OE1' ' NH2' ' A' ' 28' ' ' ARG . 26.0 mt-30 -92.77 165.77 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 29.7 tttm -111.13 85.99 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 28.7 mmt85 -110.3 147.05 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.1 t-105 -81.79 141.91 33.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.8 t -132.79 147.58 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 8.0 tmtt? -149.75 144.47 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -126.77 134.53 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.98 -30.93 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.26 4.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.2 mt -111.34 -45.53 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' HD11 ' A' ' 51' ' ' ILE . 16.1 p -149.12 163.05 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.68 106.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 p -94.03 120.76 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 46.1 p90 -123.76 126.18 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -139.46 -175.19 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -100.51 105.4 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.13 -31.65 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.04 -70.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -86.14 86.68 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.56 44.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.5 mmt -84.2 176.57 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.4 p90 -61.16 127.93 33.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -173.23 159.54 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -114.35 144.07 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 39' ' ' TYR . . . 174.25 66.81 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.51 HD11 ' OG ' ' A' ' 36' ' ' SER . 4.6 tt -129.06 133.79 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mt -109.37 116.91 54.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.8 Cg_endo -69.82 131.14 20.53 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -48.19 -31.38 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -64.12 -42.54 96.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.554 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -56.23 -46.0 79.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 85.2 mt -54.05 92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 m -67.59 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 t -170.7 155.95 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -124.25 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -150.84 138.21 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -60.28 133.26 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.9 119.97 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.89 -167.52 38.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.99 115.67 28.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 55.97 45.08 24.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -143.84 170.72 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 91' ' ' ILE . 31.0 p90 -154.63 145.0 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -105.74 121.42 43.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.59 111.39 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 127.99 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.6 p -130.77 172.42 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -63.32 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -44.32 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -165.51 142.13 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 68.9 m -52.58 142.11 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.25 161.14 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.89 122.33 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 62.5 m-85 -122.39 137.38 54.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -116.05 157.17 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.21 165.57 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.05 -12.17 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -143.77 143.32 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -56.65 -50.4 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 19.0 mt-10 -47.06 -42.53 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -44.15 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.66 -65.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 1.2 p30 -50.41 -40.84 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.34 -55.91 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 68.6 m95 -51.36 -60.77 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' PHE . 94.4 mt -50.03 -49.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m -51.65 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 57.0 mt -56.5 -53.95 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.18 -54.92 24.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.88 -43.71 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.75 -44.1 81.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.3 90.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.01 -39.12 65.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -57.56 -20.74 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -78.65 -50.91 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -56.69 -17.29 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.3 m -97.33 55.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 40.2 mt -136.3 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 104' ' ' THR . 45.0 m -68.97 87.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -150.75 166.56 30.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -110.67 87.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -100.88 109.12 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -134.2 139.95 46.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.68 -66.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 t 67.07 29.74 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.31 146.93 10.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.37 30.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.3 p -166.11 179.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -91.51 164.53 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -151.31 129.92 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -64.96 153.61 40.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.06 -155.61 0.45 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -173.28 132.15 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -138.81 138.0 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.91 124.85 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 12.85 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.09 168.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.675 ' HB2' HD13 ' A' ' 93' ' ' ILE . 34.7 tptt -161.93 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -157.47 120.87 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.0 169.36 38.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -82.84 91.0 6.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 13.2 mt -102.05 149.19 24.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' A' ' 26' ' ' GLN . 7.1 t0 -88.99 130.72 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 1.5 mmmp? -84.71 143.99 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.4 93.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.8 p -134.33 58.45 30.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.67 7.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -92.78 -40.16 10.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.8 -77.1 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' CG ' ' HG3' ' A' ' 26' ' ' GLN . 9.4 mmtm -60.17 176.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.728 0.299 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -71.4 -54.13 11.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.512 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ptm -115.22 -47.17 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' A' ' 24' ' ' MET . 74.1 m-85 -160.17 -179.85 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.487 ' HG3' ' CG ' ' A' ' 22' ' ' LYS . 51.8 mt-30 -124.69 89.31 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -52.15 126.2 17.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -151.94 162.48 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -85.28 144.65 27.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 39' ' ' TYR . 62.1 t -136.2 138.61 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -137.39 129.15 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 33.2 t80 -113.72 126.89 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -115.37 25.71 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.538 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 84.88 -46.56 3.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.42 -59.41 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.425 ' OG ' HD11 ' A' ' 51' ' ' ILE . 32.0 p -150.04 171.08 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -104.47 103.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 118.84 36.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.591 ' CE2' ' HE3' ' A' ' 16' ' ' LYS . 47.7 p90 -113.57 133.26 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.47 169.96 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.53 172.05 10.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -82.14 110.28 17.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.02 157.62 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 33.8 tttm -61.29 166.47 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt-20 -37.18 124.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.3 ttm -171.41 151.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -121.93 116.8 25.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 p -135.47 178.01 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -98.86 142.72 30.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.52 67.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.425 HD11 ' OG ' ' A' ' 36' ' ' SER . 16.8 tt -140.88 141.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 63.7 mt -111.96 112.11 53.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.1 tp -37.59 -43.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -46.22 -47.47 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.81 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -52.82 126.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -108.55 -48.8 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -154.51 145.17 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.3 t -116.59 136.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.27 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 m -90.67 138.03 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -151.61 129.55 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.63 -177.02 54.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -77.11 117.93 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.3 m120 49.3 44.64 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -141.77 164.41 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HE1' HG13 ' A' ' 81' ' ' VAL . 5.8 p90 -144.98 157.16 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 15.8 tt0 -108.63 120.87 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -95.78 100.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.09 145.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.9 p -152.14 174.31 13.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -76.2 -44.49 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -64.3 -58.99 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 ptp180 -172.49 131.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 42.1 m -51.15 134.59 26.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 81.8 m-85 -114.08 176.46 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.33 140.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.22 153.51 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -124.92 137.22 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' HE1' ' A' ' 68' ' ' PHE . 29.8 m -103.09 177.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -106.73 -17.25 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -138.52 148.99 44.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.75 -47.49 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.86 -50.46 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -45.91 -54.24 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -41.61 -58.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.63 -50.5 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD2' ' CE ' ' A' ' 10' ' ' LYS . 4.7 t70 -51.68 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 90.8 m95 -40.87 -57.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.1 mt -52.32 -62.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -46.27 -43.81 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' A' ' 10' ' ' LYS . 43.3 mt -59.33 -56.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.6 mt -52.64 -59.29 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.2 mt -51.2 -35.3 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.41 -31.18 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.4 69.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.91 -48.17 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -51.16 -48.52 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 t -45.18 -45.8 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -43.4 -44.33 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.0 t -75.34 108.55 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' THR . 95.0 mt -128.72 176.24 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 104' ' ' THR . 14.9 t 34.77 40.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.2 t -105.84 153.12 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -41.68 156.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -50.84 104.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' ALA . 23.3 tt0 -145.04 157.47 44.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' GLN . . . -35.12 125.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 p -158.97 164.23 35.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -142.85 144.31 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -174.39 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.1 p -167.16 159.77 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.5 m -163.34 161.76 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -172.0 155.96 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -98.0 -27.14 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.22 129.16 2.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -126.45 110.4 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 m -128.92 106.95 9.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 107.91 1.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -83.24 8.35 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.75 175.4 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.2 tttm -170.51 140.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.8 p -144.18 128.63 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.13 148.92 13.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -60.06 113.43 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 86.7 mt -118.24 170.02 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 17.3 m-20 -109.4 149.2 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -113.78 105.27 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD22 ' HB ' ' A' ' 78' ' ' VAL . 16.3 tp -46.31 101.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -134.44 58.44 29.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.93 9.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.634 2.223 . . . . 0.0 112.377 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.9 104.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.17 -51.79 4.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -124.18 116.66 23.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -68.97 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 mmm -147.08 165.81 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -107.06 136.32 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -107.94 119.76 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.14 148.58 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -163.61 133.79 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.05 121.81 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 39' ' ' TYR . 84.3 t -115.78 146.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -146.57 142.15 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -128.51 139.58 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.57 -42.53 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.87 -21.75 0.6 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp -97.44 -50.88 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 p -154.0 165.86 34.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.35 118.62 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 m -111.64 120.96 43.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.486 ' HB3' HG22 ' A' ' 30' ' ' VAL . 4.0 p90 -116.65 140.29 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.1 147.9 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.41 112.93 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -90.71 -53.76 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.82 -49.18 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -44.35 -48.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.49 173.5 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttm -82.16 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.23 127.96 36.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -102.57 158.14 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.02 142.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.31 137.52 4.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.5 149.83 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.101 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -117.6 112.86 38.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.2 Cg_endo -69.75 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 tp -59.04 -33.42 70.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.0 p -63.13 -36.6 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.671 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -57.46 -46.85 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.13 93.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -69.64 -48.99 57.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -162.7 147.28 11.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.616 HG11 HG12 ' A' ' 91' ' ' ILE . 60.5 t -110.84 136.66 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 3.0 ptp180 -146.92 121.75 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.646 HG12 HD11 ' A' ' 91' ' ' ILE . 31.3 m -66.03 153.3 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 64' ' ' GLY . 18.8 tt0 -112.26 163.19 14.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -36.11 -77.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.37 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.576 ' O ' HG22 ' A' ' 81' ' ' VAL . 67.8 m-20 -76.39 50.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -136.48 170.29 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 33.9 p90 -139.0 162.04 35.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HG3' HG22 ' A' ' 78' ' ' VAL . 12.2 tt0 -115.48 120.68 40.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -98.94 101.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.43 118.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.7 p -113.81 174.66 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.1 m -74.94 -27.81 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 35.4 mm-40 -83.82 -75.67 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -145.87 122.26 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.1 m -48.0 127.97 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -109.22 163.79 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.494 ' HB ' HD22 ' A' ' 17' ' ' LEU . 99.4 t -133.23 121.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 31.4 m-85 -109.65 159.14 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.445 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 48.0 ttp85 -129.12 148.1 51.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 66' ' ' ASN . 11.1 m -118.09 173.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.64 -27.34 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -127.14 163.88 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.56 -46.93 71.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -58.95 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -46.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.448 ' HB2' HG21 ' A' ' 81' ' ' VAL . 28.7 ttp180 -58.1 -52.01 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -57.54 -42.17 82.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.43 -58.65 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -46.12 -62.02 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.646 HD11 HG12 ' A' ' 62' ' ' VAL . 87.1 mt -50.29 -58.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -42.44 -46.25 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 76.9 mt -64.12 -44.02 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.76 -58.46 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.87 -33.69 37.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.36 -29.88 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.86 -34.37 60.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.92 -53.26 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -52.8 -35.43 56.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -61.32 -46.53 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -77.93 -27.4 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 m -133.52 102.84 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.17 146.45 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 77.0 p -69.76 130.89 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -63.47 167.88 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -82.44 44.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' GLN . 1.8 t -111.59 176.59 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' SER . 32.5 tt0 -38.29 123.52 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.36 178.23 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 111' ' ' GLY . 7.4 m -117.59 -50.17 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 110' ' ' SER . . . 34.85 79.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.7 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 p -172.84 177.61 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -150.11 129.87 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -153.0 154.04 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -122.82 106.85 11.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.8 -101.08 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p 44.16 42.42 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -113.54 115.68 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.59 107.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -74.7 -4.31 36.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.81 170.95 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 26.0 tttp -164.69 141.02 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -152.4 132.63 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 -134.09 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -122.32 99.63 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 53.8 mt -103.78 123.65 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.27 118.36 30.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 35.1 ttpt -122.85 153.38 39.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.824 HD23 ' O ' ' A' ' 24' ' ' MET . 1.8 mt -76.13 129.61 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -75.58 -62.94 0.72 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.9 Cg_endo -69.81 -165.92 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -120.81 -49.84 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.56 -49.62 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -61.66 164.93 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.27 29.45 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.824 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 ttt -82.34 116.26 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -86.28 126.85 34.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -101.51 147.4 26.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -99.44 127.69 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -150.74 138.02 19.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -72.19 135.17 46.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 31' ' ' LYS . 21.6 t -124.59 160.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.515 ' N ' HG12 ' A' ' 30' ' ' VAL . 22.8 tttp -158.19 148.38 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.457 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 23.4 t80 -124.88 132.99 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.13 4.29 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 101.47 -37.37 3.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.31 -58.37 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -142.72 155.01 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -88.9 104.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.9 p -94.0 120.45 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -122.39 142.34 50.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -129.04 167.59 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -112.48 154.38 25.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -87.47 -61.35 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -50.98 151.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -50.17 126.94 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -151.46 146.63 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' TYR . 31.5 mtt -76.3 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 15.5 p90 -37.6 110.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -138.43 141.6 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -54.3 135.29 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.02 68.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.5 tt -143.02 138.06 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.3 mt -108.34 115.46 58.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.622 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.78 131.12 20.55 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.585 HD21 ' O ' ' A' ' 97' ' ' ALA . 15.1 tp -47.5 -31.23 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -65.48 -38.83 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -58.46 -40.77 83.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.31 126.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -102.97 -49.59 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 t -163.24 145.79 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.31 139.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -147.79 147.79 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.09 135.88 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -148.18 118.49 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.89 -179.08 51.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.31 120.28 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 52.19 48.56 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -148.09 163.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 11.7 p90 -152.07 151.29 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' A' ' 78' ' ' VAL . 25.7 tt0 -107.94 119.34 39.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.45 94.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.53 ' HA ' HG23 ' A' ' 76' ' ' THR . 31.0 t -73.82 122.0 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -114.38 -175.28 2.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -72.87 124.94 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 49.55 24.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -172.44 165.6 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.53 HG23 ' HA ' ' A' ' 71' ' ' VAL . 97.2 m -146.68 130.51 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -109.76 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' HG3' ' A' ' 69' ' ' GLU . 26.0 t -106.49 117.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 30.2 m-85 -110.5 161.88 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -137.32 140.2 41.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -107.32 176.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -104.44 -34.14 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -120.42 153.5 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.91 -58.43 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -41.58 -51.82 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -48.93 -41.98 35.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -52.18 -61.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.4 p30 -57.47 -50.35 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -48.66 -55.3 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -52.09 -59.25 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 53.5 mt -52.89 -63.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -40.17 -55.51 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 81.2 mt -50.92 -48.25 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.38 -53.27 59.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 98' ' ' LEU . 86.8 mt -54.84 -35.32 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -70.42 -39.32 74.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.585 ' O ' HD21 ' A' ' 54' ' ' LEU . . . -74.38 -14.88 60.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 95' ' ' LEU . 11.2 mt -89.7 -57.2 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -45.81 -36.67 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -59.99 -37.56 80.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.39 -2.39 56.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -115.02 46.05 1.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.47 161.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.2 m -41.81 -45.24 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.4 p -42.59 137.45 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -46.31 120.05 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.9 p -139.47 112.37 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.85 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.67 148.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -104.37 124.43 49.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -177.23 82.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -115.11 159.28 21.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -90.32 -53.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -154.44 148.23 25.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 110.797 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -143.74 153.68 42.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.16 92.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -81.06 43.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -69.82 124.52 24.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.38 125.17 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -105.19 21.69 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.19 -175.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 25.8 tttp -170.67 137.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -149.18 123.94 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.65 176.06 44.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 92.2 m95 -72.52 111.69 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 61.0 mt -120.28 131.75 55.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.94 108.47 7.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -89.59 156.41 18.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD12 ' HG3' ' A' ' 19' ' ' PRO . 1.8 pt? -66.85 152.08 46.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -134.97 58.79 30.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.533 ' HG3' HD12 ' A' ' 17' ' ' LEU . 54.2 Cg_endo -69.69 171.13 14.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 52.84 39.11 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.62 160.48 34.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -60.84 -48.85 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -46.41 163.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 29.7 mtm -104.38 -46.81 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -152.14 145.16 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 25.0 mt-30 -106.74 129.61 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 32.5 tttm -92.48 94.88 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' NE ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -118.41 153.9 33.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -76.86 129.86 36.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' HB ' HD12 ' A' ' 14' ' ' LEU . 88.6 t -116.97 143.0 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' A' ' 33' ' ' ASP . 1.4 tmtp? -140.19 142.32 35.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 27.5 t80 -132.97 128.23 35.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' HB2' ' CE ' ' A' ' 31' ' ' LYS . 29.9 t0 -120.05 29.79 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 81.35 -36.72 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.91 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.8 m -143.28 172.67 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -108.15 109.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -104.55 116.62 32.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -110.24 121.23 44.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.03 170.8 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 8.1 p-10 -119.67 139.21 52.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' GLU . 55.9 t-20 -48.96 -59.71 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ASN . 16.2 tt0 -36.25 -59.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -82.83 153.83 24.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.49 121.26 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.567 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 4.1 mmt 58.88 47.85 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 46' ' ' MET . 11.5 m-85 -163.79 118.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.1 p -154.91 139.39 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.86 41.96 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.21 122.03 1.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 tt -148.6 146.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mt -115.78 111.68 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -39.67 -38.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -52.12 -47.04 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.33 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' HD22 ' A' ' 98' ' ' LEU . 67.0 mt -52.8 106.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -87.95 -41.75 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -168.05 158.88 10.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 70' ' ' VAL . 60.1 t -137.77 144.94 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -152.34 153.84 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 62' ' ' VAL . 31.6 m -73.86 124.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' O ' ' C ' ' A' ' 64' ' ' GLY . 20.2 tt0 -99.75 117.64 34.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 31.12 -99.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -75.29 48.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.626 ' NZ ' HG12 ' A' ' 78' ' ' VAL . 4.3 mtpm? -126.29 176.46 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 46.3 p90 -148.1 144.87 28.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 12.2 tt0 -100.55 113.88 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.434 ' HA ' HG22 ' A' ' 60' ' ' VAL . 87.9 t -90.99 99.8 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.74 134.88 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.7 p -145.5 159.61 42.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.3 m -63.69 -46.99 83.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.73 -65.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' THR . 13.5 ptm180 -171.6 120.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.493 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 87.5 m -35.43 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.42 164.47 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.626 HG12 ' NZ ' ' A' ' 67' ' ' LYS . 41.5 t -137.02 135.3 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 57.0 m-85 -132.54 156.54 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.32 144.56 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG11 ' HA ' ' A' ' 87' ' ' ARG . 30.9 m -101.82 175.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -108.15 -20.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.55 155.43 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' C ' ' OE1' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -57.58 -43.86 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.15 -53.07 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -45.11 -43.89 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HA ' HG11 ' A' ' 81' ' ' VAL . 33.7 ttp85 -49.92 -44.04 50.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -81.31 -40.85 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.53 -61.98 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 86.0 m95 -47.82 -62.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 68' ' ' PHE . 64.4 mt -51.05 -48.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 t -55.14 -41.87 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 83.1 mt -66.62 -45.58 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.77 -54.46 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 98' ' ' LEU . 83.7 mt -55.29 -36.94 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.86 -34.27 62.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.1 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 95' ' ' LEU . 12.7 mt -58.82 -47.55 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.54 -44.61 72.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.8 t -44.41 -45.3 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -47.03 -48.01 22.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.1 t -132.32 115.65 15.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -138.07 166.81 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.4 t -94.13 143.02 26.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.7 p -62.28 123.18 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -133.7 178.87 6.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -81.02 171.78 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -160.61 140.03 10.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -141.4 134.53 29.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.6 p -101.88 131.39 48.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -118.13 156.93 15.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -177.46 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.2 p -125.95 147.33 49.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -167.41 131.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -78.22 -50.48 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m 51.96 42.51 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 46.88 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -132.63 137.69 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -104.8 161.73 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.81 111.58 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -87.13 17.44 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.46 173.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.5 tttm -166.32 141.36 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -151.76 147.44 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.88 159.58 21.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 41' ' ' ASN . 91.9 m95 -70.03 107.12 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 16.3 mt -117.33 141.19 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -72.94 125.53 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 20.5 tptm -116.09 147.53 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.85 HD23 ' HB ' ' A' ' 78' ' ' VAL . 4.5 pp -84.38 31.48 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.441 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 89.4 p -129.02 54.47 14.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 18' ' ' SER . 53.4 Cg_endo -69.73 -165.31 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.15 90.67 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.0 -84.07 0.85 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -52.34 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -133.92 101.77 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.8 tpt -174.51 154.93 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.62 121.81 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -128.08 -75.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -175.12 117.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -151.05 129.06 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -71.63 150.88 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' HD12 ' A' ' 14' ' ' LEU . 56.9 t -145.54 129.52 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -132.12 145.26 51.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -124.49 137.26 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.59 -38.44 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.64 -26.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -97.78 -49.04 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 51' ' ' ILE . 93.8 p -150.33 170.97 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 30' ' ' VAL . 18.0 mt -110.02 119.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 m -101.39 124.47 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CE1' ' C ' ' A' ' 50' ' ' GLY . 24.7 p90 -119.04 138.11 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' ASN . 2.0 p90 -164.28 106.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.572 ' O ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 p-10 -34.35 -62.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -133.38 -58.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -163.87 163.86 23.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -170.36 159.71 7.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -44.93 161.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.1 mmm -92.39 44.66 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -144.2 123.59 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t 55.12 46.54 23.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -72.95 132.46 43.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.536 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . -43.33 110.99 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.528 HD11 ' OG ' ' A' ' 36' ' ' SER . 20.0 tt -150.65 139.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 23.1 mt -116.7 112.41 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.1 Cg_endo -69.76 119.2 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.6 tp -37.57 -42.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -51.97 -47.02 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -52.73 -46.6 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.09 112.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.46 ' HB2' HG12 ' A' ' 71' ' ' VAL . 3.0 m -87.76 -49.21 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -151.74 164.24 37.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -138.62 129.44 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.91 170.18 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.6 m -98.52 145.22 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' GLY . 7.2 tt0 -105.27 160.1 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.15 -69.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.69 -176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -76.62 50.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -142.53 175.1 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 6.0 p90 -137.33 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -118.05 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -91.45 92.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 58' ' ' SER . 88.9 t -65.11 126.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' THR . 2.4 p -137.31 129.29 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . 55.8 m -33.96 -56.12 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -49.68 -72.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -161.45 121.85 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.5 m -45.86 142.29 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -127.79 170.25 12.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.85 ' HB ' HD23 ' A' ' 17' ' ' LEU . 34.5 t -135.43 136.97 50.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 40.9 m-85 -130.02 135.78 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -112.0 139.84 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 m -104.58 177.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.8 -22.85 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -136.29 145.08 45.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -52.13 -41.52 62.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.471 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 15.9 tt0 -58.83 -43.99 90.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.33 -43.67 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -53.92 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.471 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 2.0 p30 -54.92 -36.5 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -58.79 -50.97 71.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.662 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 79.9 m95 -60.72 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.559 HG22 HD12 ' A' ' 95' ' ' LEU . 71.2 mt -48.85 -40.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.3 t -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 70.5 mt -67.52 -46.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.22 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 91' ' ' ILE . 28.9 mt -52.04 -33.66 39.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -79.53 -19.31 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.57 -29.71 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.8 -53.19 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -52.38 -32.64 39.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -62.12 -54.46 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.411 HE21 ' HB2' ' A' ' 101' ' ' GLN . 0.8 OUTLIER -65.07 -30.43 71.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 14.9 m -46.51 -42.45 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 104' ' ' THR . 1.3 pp -65.69 128.32 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 103' ' ' LEU . 3.7 t -34.35 126.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -169.71 142.88 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -85.01 121.66 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.1 m -142.82 163.09 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -93.3 118.14 30.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -134.81 172.94 12.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -155.75 168.15 28.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -142.81 79.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 123.06 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -76.84 133.18 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.1 p 43.75 42.12 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -48.03 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -137.67 140.42 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.48 -156.02 5.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.435 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -132.36 140.05 48.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 m -107.26 139.23 42.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.48 129.13 6.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -108.65 21.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.01 175.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HB2' HD13 ' A' ' 93' ' ' ILE . 23.2 tptt -160.09 152.94 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 p -158.23 125.64 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 138.17 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 87.1 m95 -50.37 112.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 68.4 mt -109.33 141.12 42.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.26 97.45 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 28.6 tttm -104.54 148.09 26.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.574 HD11 ' O ' ' A' ' 21' ' ' GLY . 32.8 tp -93.59 100.52 12.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.576 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -84.52 -67.04 0.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 54.1 Cg_endo -69.77 -175.98 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -88.1 137.81 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.574 ' O ' HD11 ' A' ' 17' ' ' LEU . . . 127.75 132.56 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.72 -44.78 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -77.6 46.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 17' ' ' LEU . 5.6 ptp -169.5 139.67 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -139.68 159.92 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 99.9 7.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.72 123.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' NH2' ' HB2' ' A' ' 18' ' ' SER . 16.9 mtm180 -147.59 134.02 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 2.3 t-105 -73.99 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG13 ' CG2' ' A' ' 37' ' ' ILE . 86.9 t -112.69 148.01 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -146.38 132.03 18.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 47.3 t80 -123.42 124.93 44.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 35' ' ' LEU . 10.7 t70 -109.25 21.48 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 91.68 -38.2 3.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -78.04 -62.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 51' ' ' ILE . 17.6 m -144.59 175.63 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.513 ' CG2' HG13 ' A' ' 30' ' ' VAL . 27.4 mt -111.71 108.44 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 40.2 m -109.62 114.04 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -105.32 159.28 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -131.62 172.65 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -112.15 143.29 43.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -38.93 -54.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -63.32 168.58 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -48.62 149.76 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -71.9 105.91 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 mtt -89.34 171.11 9.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' SER . 32.3 p90 -44.82 -44.26 9.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 47' ' ' TYR . 6.6 m -36.2 118.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -107.5 143.42 35.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.74 102.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -137.35 139.02 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' N ' HD13 ' A' ' 51' ' ' ILE . 22.4 mt -109.28 111.19 60.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.4 Cg_endo -69.75 142.05 46.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.64 -39.56 73.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 t -53.33 -46.56 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -48.43 -48.26 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.874 HD13 HD22 ' A' ' 94' ' ' LEU . 81.2 mt -50.8 92.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -78.03 -44.99 24.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.1 t -166.19 139.41 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.53 144.91 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 2.2 ptm85 -141.12 121.38 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 91' ' ' ILE . 31.4 m -50.24 153.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 67' ' ' LYS . 13.5 mm100 -111.03 178.36 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -32.55 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASN . 1.6 m-20 -134.57 145.57 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ASP . 24.7 m-80 35.63 44.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 63' ' ' GLN . 8.1 mtmp? -148.29 176.69 10.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.429 ' C ' ' HG2' ' A' ' 63' ' ' GLN . 21.0 p90 -167.32 152.56 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.619 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -111.77 128.5 56.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -106.72 99.94 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.6 126.88 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.9 p -131.25 158.48 40.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.1 m -58.87 -48.77 80.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.33 -62.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.6 ptt180 -172.9 116.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ARG . 43.7 m -37.06 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -120.05 138.85 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.619 HG22 ' CD ' ' A' ' 69' ' ' GLU . 60.6 t -97.04 131.87 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.406 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 m-85 -128.33 158.4 38.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -136.91 131.35 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.73 HG21 ' HB2' ' A' ' 87' ' ' ARG . 13.0 m -95.05 173.83 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -102.4 -26.67 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -128.37 153.17 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -58.96 -46.52 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.34 -47.52 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -55.78 -49.06 74.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.13 -46.59 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.3 -52.51 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.557 ' OD1' HD11 ' A' ' 93' ' ' ILE . 4.6 t70 -46.7 -60.45 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.603 ' HA ' HD12 ' A' ' 93' ' ' ILE . 60.5 m95 -42.73 -56.94 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 62' ' ' VAL . 77.6 mt -51.23 -62.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -42.81 -55.33 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 90' ' ' TRP . 31.5 mt -44.14 -60.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.874 HD22 HD13 ' A' ' 57' ' ' ILE . 29.6 mt -47.66 -57.13 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 65.5 mt -50.84 -47.9 60.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -58.35 -39.88 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.92 -57.76 11.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.3 mt -38.77 -46.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.53 -50.89 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.4 t -42.99 -46.28 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.75 -51.46 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t -38.69 -52.46 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt 61.8 41.67 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.4 m -47.18 -61.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.5 p -51.6 118.75 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -52.84 121.46 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 m -164.8 128.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -65.44 141.02 58.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.77 151.0 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 t -143.64 135.58 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.19 80.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.78 2.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.666 2.244 . . . . 0.0 112.378 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 m -88.17 144.28 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.8 m -70.89 157.63 37.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -140.61 161.01 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -161.41 156.18 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.65 69.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -75.15 170.39 16.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.817 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -81.05 163.1 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.87 107.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -91.08 6.82 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.4 -178.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 40.4 tttp -165.6 137.33 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -143.26 147.88 35.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.66 163.45 15.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 96.5 m95 -67.34 108.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 96.1 mt -109.03 145.08 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 126.54 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -113.74 158.91 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -112.69 86.88 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.518 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -64.45 -59.27 11.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.806 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.1 Cg_endo -69.73 178.91 4.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.268 . . . . 0.0 112.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -133.67 152.62 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.95 18.99 3.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -133.51 130.83 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -73.63 100.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 ttt -173.25 116.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -111.65 135.0 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -91.66 149.7 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.2 ttmm -115.75 119.12 35.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -147.76 136.02 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -62.94 124.34 20.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 31' ' ' LYS . 37.3 t -114.68 157.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 30' ' ' VAL . 28.6 tttt -159.62 140.65 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.528 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 45.3 t80 -121.1 138.75 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.07 -29.08 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 130.41 -14.28 5.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 12.4 mt -105.43 -42.79 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 p -155.13 175.48 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.3 mt -109.95 106.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.442 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 61.4 m -113.89 115.8 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -119.27 145.53 46.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.58 170.34 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.22 178.93 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.5 OUTLIER -119.01 35.14 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.79 156.02 49.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -78.5 95.49 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -133.83 136.87 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.95 174.49 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 39.97 34.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.7 m -44.3 137.22 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -143.45 175.13 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.12 77.77 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -146.24 140.76 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 51' ' ' ILE . 13.5 mt -124.82 112.87 27.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.703 HD21 ' HG2' ' A' ' 101' ' ' GLN . 6.2 tp -38.44 -37.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 t -53.97 -49.87 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.19 -49.65 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.1 mt -47.83 129.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 -44.72 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 t -166.76 133.25 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.01 134.6 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -140.97 161.65 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.85 145.61 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -149.5 138.77 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.83 -138.96 21.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -101.42 -65.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.646 ' O ' HG22 ' A' ' 81' ' ' VAL . 2.4 m120 -120.9 42.33 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -137.91 165.24 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 14.2 p90 -140.4 160.39 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -114.9 116.25 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -96.2 104.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.408 ' HA ' HG23 ' A' ' 76' ' ' THR . 85.1 t -72.88 117.42 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -128.99 129.41 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' THR . 9.6 m -35.61 -55.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -47.74 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -170.92 111.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 71' ' ' VAL . 35.7 m -40.37 135.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -117.57 177.19 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.22 122.1 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 33.1 m-85 -117.61 143.63 45.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -115.53 149.83 37.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 66' ' ' ASN . 13.7 m -111.9 174.47 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -102.78 -24.1 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -142.33 159.99 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.74 -54.41 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -42.27 -47.21 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -53.18 -42.44 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -48.81 -62.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.83 -49.22 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -50.12 -68.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.634 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 68.4 m95 -41.97 -59.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.72 -68.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -37.89 -47.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.23 -53.21 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.0 mt -54.33 -57.65 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.98 -49.61 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -46.8 -40.84 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' GLN . . . -65.95 -38.17 87.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.478 ' HA ' ' CG ' ' A' ' 101' ' ' GLN . 40.6 mt -64.41 -29.85 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.44 -56.92 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.5 t -61.0 -52.3 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.703 ' HG2' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -56.2 -34.82 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.7 t -70.24 97.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -149.81 151.6 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.4 t -106.23 159.05 16.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -38.16 -51.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 6.8 mp0 -51.28 138.1 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 t -118.04 130.43 56.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 109' ' ' ALA . 58.3 tp60 -162.76 153.66 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 108' ' ' GLN . . . -103.04 121.54 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.4 m -110.04 -60.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.83 118.45 12.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -172.86 160.76 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -61.91 163.77 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.14 163.28 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.647 ' HB2' HD13 ' A' ' 93' ' ' ILE . 22.6 tttp -166.71 141.02 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 p -148.94 132.13 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.49 166.11 35.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -60.55 121.52 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 mt -129.67 140.54 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.69 110.74 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -91.49 146.33 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.882 0.372 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 28' ' ' ARG . 26.5 ttmt -83.75 135.97 34.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -146.09 147.39 31.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -73.43 131.59 42.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 39' ' ' TYR . 99.6 t -125.33 153.51 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 30' ' ' VAL . 41.4 tttt -157.74 136.46 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -116.04 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -103.98 -41.96 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.34 -16.8 1.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 29.4 mt -108.88 -44.21 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -147.19 172.6 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -106.87 112.0 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -100.52 111.23 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.69 ' HB2' HG22 ' A' ' 30' ' ' VAL . 5.9 p90 -129.86 118.99 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 tt -136.71 130.3 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.36 117.67 61.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.662 0.744 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.619 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.6 Cg_endo -69.8 133.23 25.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.4 tp -53.36 -31.37 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -64.15 -40.65 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -56.62 -44.93 81.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 98' ' ' LEU . 93.7 mt -50.18 103.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -83.38 -46.9 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -155.86 155.95 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 t -128.08 141.28 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -149.38 168.97 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.663 HG12 ' HD3' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -94.11 151.05 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -142.41 148.91 38.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 39.86 -149.27 0.14 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -101.34 127.23 48.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 54.76 35.09 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -137.66 166.79 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 2.2 p90 -156.01 159.77 39.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.692 ' HG3' HG22 ' A' ' 78' ' ' VAL . 19.5 tt0 -120.0 120.82 37.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.34 108.07 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.525 ' HA ' HG23 ' A' ' 76' ' ' THR . 21.5 t -76.52 132.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -130.31 139.49 50.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 m -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 92.2 mm-40 -83.88 -75.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 4.8 mpt_? -149.23 123.03 9.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.525 HG23 ' HA ' ' A' ' 71' ' ' VAL . 9.3 m -47.5 137.43 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -120.89 151.17 40.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 ' HG3' ' A' ' 69' ' ' GLU . 61.3 t -121.51 118.29 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 80.2 m-85 -113.76 137.0 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.52 142.26 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.613 HG21 ' HB2' ' A' ' 87' ' ' ARG . 6.0 m -108.36 177.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.12 -18.96 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -127.88 154.4 45.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.47 -51.98 44.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.77 -35.0 29.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.53 -50.77 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.663 ' HD3' HG12 ' A' ' 62' ' ' VAL . 6.2 tmm_? -46.52 -53.95 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -66.98 -40.98 87.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -55.21 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.601 ' HA ' HD12 ' A' ' 93' ' ' ILE . 52.5 m95 -44.14 -61.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -44.98 -57.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -50.59 -51.87 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 10' ' ' LYS . 41.0 mt -49.31 -45.98 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.18 -53.72 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -53.61 -37.38 62.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.12 -39.34 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.14 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD11 ' CG2' ' A' ' 57' ' ' ILE . 16.6 mt -84.61 -36.83 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -68.46 -32.56 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.843 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.28 176.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG2' ' CE2' ' A' ' 90' ' ' TRP . 29.9 tptt -160.72 151.53 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -153.2 142.48 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.73 144.46 4.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -56.52 107.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.495 HD12 ' HB ' ' A' ' 30' ' ' VAL . 19.5 mt -103.94 130.42 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -91.43 111.48 22.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 3.6 ptmm? -103.43 -175.14 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -78.86 112.85 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -137.07 133.63 35.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -61.51 136.11 57.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 14' ' ' LEU . 74.6 t -129.76 142.04 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -144.19 123.47 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 25.1 t80 -103.66 126.97 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -111.87 18.58 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 90.63 -47.95 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.445 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt -71.75 -59.02 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.69 ' OG ' HD11 ' A' ' 51' ' ' ILE . 23.2 p -144.12 170.12 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.79 105.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.4 m -93.67 122.49 36.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.6 129.3 42.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.69 HD11 ' OG ' ' A' ' 36' ' ' SER . 13.2 tt -149.4 150.47 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.355 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mt -121.87 115.3 30.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 52.8 Cg_endo -69.85 135.71 30.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' A' ' 57' ' ' ILE . 5.8 tp -53.04 -34.15 55.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.6 p -58.94 -39.28 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -60.65 -43.01 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 54' ' ' LEU . 41.9 mt -57.65 103.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -81.94 -52.11 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 t -153.28 153.76 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -125.31 139.77 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -141.17 150.1 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.42 149.85 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HB2' ' N ' ' A' ' 68' ' ' PHE . 8.5 mm100 -131.67 141.38 49.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.08 -119.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -117.28 -53.7 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.66 46.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -148.05 170.42 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.434 ' N ' ' HB2' ' A' ' 63' ' ' GLN . 35.5 p90 -157.77 155.37 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 10.7 tt0 -108.03 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -105.74 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HA ' HG23 ' A' ' 76' ' ' THR . 59.5 t -67.29 139.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -144.48 168.56 19.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -61.94 -61.17 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.09 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -170.64 120.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 71' ' ' VAL . 89.5 m -39.16 149.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.88 156.64 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.83 113.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 53.4 m-85 -109.05 158.72 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -133.03 141.34 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 m -104.79 176.24 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -98.24 -18.18 18.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -138.92 143.94 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.69 -41.11 66.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -56.69 -51.57 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -47.85 -39.36 18.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -49.88 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.81 -49.49 73.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -65.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.448 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 67.5 m95 -44.38 -58.27 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' SER . 39.5 mt -48.36 -71.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' ILE . 8.7 t -36.25 -53.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -51.41 -48.9 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.2 -57.46 11.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.69 -48.42 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.34 -44.51 65.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.82 -43.83 82.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.44 -42.23 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -53.56 -35.42 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.84 167.41 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HB2' HD13 ' A' ' 93' ' ' ILE . 34.4 tttp -170.35 139.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t -144.52 154.04 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.72 151.03 5.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.64 103.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' CE2' ' A' ' 90' ' ' TRP . 12.6 mt -103.27 143.07 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -86.34 99.39 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 22.5 tptp -97.81 147.72 24.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.373 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -74.21 110.75 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -128.56 145.03 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -88.33 117.1 27.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG22 ' HB2' ' A' ' 39' ' ' TYR . 21.5 t -112.48 142.11 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -143.52 130.88 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -108.59 128.94 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.86 -33.2 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.49 -13.21 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.21 -42.97 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 51' ' ' ILE . 32.6 p -153.33 161.71 42.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.485 HD11 HD21 ' A' ' 94' ' ' LEU . 64.8 mt -96.87 109.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -100.42 112.88 25.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' HB2' HG22 ' A' ' 30' ' ' VAL . 22.0 p90 -119.67 122.86 42.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.409 HD11 ' OG ' ' A' ' 36' ' ' SER . 12.8 tt -149.9 141.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.3 mt -115.97 115.64 40.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.81 124.4 11.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -45.03 -32.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 p -60.76 -45.17 95.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -54.31 -48.5 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.9 mt -54.1 107.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -82.21 -47.17 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.9 t -158.95 163.62 36.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.3 t -131.46 139.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -140.69 146.21 37.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.46 147.42 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -111.11 151.24 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -37.36 -70.41 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.19 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.33 55.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -146.45 166.26 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 10.9 p90 -135.68 149.6 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 19.2 tt0 -103.62 138.27 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t -120.85 101.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.3 137.27 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' THR . 19.1 p -114.38 -175.19 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' THR . 22.6 m -34.03 -52.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.14 -52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -179.85 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.408 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 19.7 m -138.77 145.68 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -112.89 164.2 13.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.13 133.22 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 45.0 m-85 -130.85 146.29 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -120.88 132.88 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.21 168.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -105.08 -25.15 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -120.53 167.51 12.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -77.59 -55.12 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -49.28 -42.45 41.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ARG . 75.7 mt-10 -51.08 -55.71 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' GLU . 7.4 ttm105 -34.39 -61.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -60.94 -48.25 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.02 -66.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.472 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.9 m95 -43.63 -60.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LEU . 74.3 mt -50.97 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' ILE . 7.4 t -37.18 -49.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.418 HD13 ' HB2' ' A' ' 10' ' ' LYS . 84.0 mt -57.13 -42.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.485 HD21 HD11 ' A' ' 37' ' ' ILE . 65.6 mt -65.79 -64.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 98' ' ' LEU . 25.7 mt -47.57 -49.62 26.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.65 -34.28 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.38 -18.74 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 95' ' ' LEU . 16.7 mt -85.0 -33.51 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -68.7 -29.55 68.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.867 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.321 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.87 175.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG2' ' CZ2' ' A' ' 90' ' ' TRP . 20.3 tttp -166.22 150.45 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.5 p -152.23 129.43 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.7 167.15 38.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 78.9 m95 -69.6 104.64 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.646 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 84.4 mt -111.27 142.74 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.02 145.56 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -123.92 140.86 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -74.16 122.94 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 30' ' ' VAL . 14.4 mmp_? -145.44 119.73 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -45.25 143.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 28' ' ' ARG . 61.0 t -141.42 145.21 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -149.12 140.98 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 39.9 t80 -125.63 145.06 50.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -125.59 -41.07 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 153.96 -31.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.0 mt -87.25 -48.69 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.559 ' OG ' HD11 ' A' ' 51' ' ' ILE . 66.0 p -154.78 175.17 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.46 114.57 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.6 m -98.87 119.02 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 44.4 p90 -124.09 123.13 39.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 38' ' ' SER . 2.1 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.559 HD11 ' OG ' ' A' ' 36' ' ' SER . 11.6 tt -143.68 151.76 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 41.0 mt -126.53 112.76 23.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.77 124.72 11.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 57' ' ' ILE . 3.2 tp -46.1 -39.86 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.7 t -56.3 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -55.29 -47.44 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 54' ' ' LEU . 31.7 mt -52.45 113.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -87.31 -55.86 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -149.88 169.68 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.82 142.44 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -151.07 130.67 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.717 HG11 ' HE ' ' A' ' 87' ' ' ARG . 26.3 m -67.61 130.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -125.68 146.71 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.51 -140.28 37.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.38 133.57 55.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 m120 47.8 42.76 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -147.56 162.32 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 43.7 p90 -150.49 156.35 41.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -110.16 121.4 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.4 t -100.64 93.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.43 135.76 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.3 p -103.5 179.09 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ALA . 1.9 t -39.66 -38.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -134.96 -62.75 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -69.23 177.24 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 97.8 m -139.21 132.33 29.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.29 171.39 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -140.97 144.19 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 40.6 m-85 -140.82 163.57 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -138.6 136.48 36.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.72 177.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -111.65 -18.48 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -133.58 160.35 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.46 -54.76 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.73 -37.93 63.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -44.31 69.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.717 ' HE ' HG11 ' A' ' 62' ' ' VAL . 14.7 ttt180 -52.11 -59.5 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.37 -47.35 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.1 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.646 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.0 m95 -51.12 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.674 HD11 HG12 ' A' ' 62' ' ' VAL . 68.3 mt -47.16 -58.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -45.21 -49.66 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 77.7 mt -55.77 -51.7 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.41 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 98' ' ' LEU . 73.5 mt -54.45 -48.18 72.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -51.46 -44.03 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.85 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 95' ' ' LEU . 20.3 mt -50.67 -40.14 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -63.42 -44.38 94.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 tptm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.801 0.334 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.34 162.73 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 13.2 tttm -161.91 149.63 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -154.68 128.07 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.53 168.98 39.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -76.29 107.17 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 mt -108.34 160.53 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.33 123.11 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -104.71 158.98 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -108.32 102.28 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -130.05 150.14 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -73.42 132.5 43.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 39' ' ' TYR . 79.7 t -122.35 151.26 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -150.63 140.04 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 93' ' ' ILE . 19.7 t80 -118.91 125.15 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.29 1.58 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 99.14 -20.54 49.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.22 -41.36 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 p -153.08 163.34 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD11 HD21 ' A' ' 94' ' ' LEU . 51.0 mt -105.96 99.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -96.34 126.12 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.571 ' HB3' HG22 ' A' ' 30' ' ' VAL . 52.1 p90 -121.29 130.74 53.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 6.1 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.5 tt -146.11 142.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -112.53 114.56 50.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 52.9 Cg_endo -69.79 125.96 12.74 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -47.4 -32.71 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -60.34 -37.02 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -61.04 -43.53 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.47 111.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -92.52 -31.07 15.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -170.13 151.5 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.415 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 39.9 t -123.01 142.41 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -142.01 142.99 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.43 149.69 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -107.11 148.44 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.2 13.11 16.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASN . 7.6 m-20 -132.57 64.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 35.88 37.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -140.43 176.22 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 12.8 p90 -150.98 143.21 24.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.28 134.01 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.34 107.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.8 124.8 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.0 p -133.13 163.86 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -56.6 -60.75 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -46.97 -66.79 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -167.09 150.53 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 98.6 m -61.04 134.73 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -113.53 169.46 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.3 t -145.88 113.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 61.1 m-85 -106.42 172.19 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -142.47 149.67 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.2 m -122.62 173.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.06 -35.44 10.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -118.81 149.14 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.92 -46.57 90.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.461 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 68.8 mm-40 -51.54 -43.79 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.85 -43.87 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.12 -53.62 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.1 p30 -65.23 -45.22 85.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 14.8 t70 -52.99 -59.01 5.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.516 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 54.0 m95 -46.73 -65.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 94' ' ' LEU . 77.1 mt -48.91 -61.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -38.48 -42.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 80.0 mt -66.43 -39.5 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 37' ' ' ILE . 42.0 mt -67.09 -54.45 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.07 -43.96 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -59.43 -41.65 90.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.49 73.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.69 -44.61 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -47.55 -26.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.863 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.98 171.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 16.4 tttm -171.54 147.34 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p -150.28 145.46 26.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.61 161.35 24.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.34 118.58 9.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 30' ' ' VAL . 73.2 mt -123.31 132.45 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.57 99.86 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -89.11 145.45 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 17' ' ' LEU . 7.7 tt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -81.72 118.05 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -144.56 133.9 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -62.17 140.26 58.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HB ' HD12 ' A' ' 14' ' ' LEU . 36.2 t -134.61 136.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -140.86 152.39 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.457 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 44.2 t80 -128.27 147.69 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.49 -43.04 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 152.19 -21.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 9.6 mt -106.5 -41.71 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 51' ' ' ILE . 2.2 m -154.36 167.67 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mt -106.02 116.0 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -95.86 113.08 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -117.21 125.49 51.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 36' ' ' SER . 13.9 tt -145.18 143.83 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -110.89 113.02 55.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.727 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.79 125.72 12.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 20.0 tp -45.35 -31.92 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 p -62.07 -42.04 98.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -53.43 -45.39 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -55.55 98.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -80.68 -47.28 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -157.33 148.26 21.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.46 HG11 HG12 ' A' ' 91' ' ' ILE . 59.5 t -119.58 137.69 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.2 ptm85 -146.29 147.14 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -78.96 140.45 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.3 142.34 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.88 -154.13 43.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 66' ' ' ASN . 2.3 m-20 -105.14 130.19 53.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 47.47 37.61 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -142.86 163.6 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.2 p90 -151.16 156.83 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 4.6 tt0 -105.16 118.25 36.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG12 HG23 ' A' ' 72' ' ' THR . 72.9 t -99.35 94.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.76 111.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.493 HG23 HG12 ' A' ' 70' ' ' VAL . 55.0 p -115.6 164.86 13.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 m -68.48 -44.79 74.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.86 -56.96 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.2 ptp180 -174.94 121.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' ARG . 28.3 m -34.91 141.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -121.52 135.72 55.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.92 127.17 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 35.9 m-85 -126.55 153.26 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -129.26 135.29 48.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -99.01 175.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.26 -31.87 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -131.39 145.34 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.9 tp10 -50.46 -57.52 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -37.84 -50.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' ARG . 52.9 mt-10 -53.51 -49.9 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' NH2' ' OE1' ' A' ' 84' ' ' GLU . 7.8 ttm180 -38.0 -54.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -66.86 -41.33 87.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -52.01 -64.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.502 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 77.8 m95 -45.98 -62.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.46 HG12 HG11 ' A' ' 60' ' ' VAL . 97.3 mt -47.91 -46.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 t -58.4 -48.76 79.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 90.2 mt -55.28 -44.56 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.52 -52.5 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.46 -49.83 69.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -52.28 -37.73 56.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.53 -53.79 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.76 -25.79 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -72.79 -30.02 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.79 163.52 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 27.8 tttp -168.16 140.67 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 p -141.58 121.34 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 163.99 34.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -78.96 99.05 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 80' ' ' ARG . 14.3 mt -105.83 165.89 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD2' ' CD ' ' A' ' 80' ' ' ARG . 33.0 m-20 -98.88 144.12 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 91.98 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.8 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.92 0.391 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -123.09 120.55 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -145.57 132.28 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 42.0 t-105 -61.62 142.33 57.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.6 t -127.83 150.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -156.67 127.21 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 20.0 t80 -105.65 138.56 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -120.08 -0.76 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 104.76 -35.58 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 35' ' ' LEU . 6.4 mp -84.47 -55.06 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.779 ' OG ' HD11 ' A' ' 51' ' ' ILE . 82.8 p -147.31 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.37 114.42 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -109.17 122.85 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -122.73 141.05 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CZ ' ' CD1' ' A' ' 29' ' ' TRP . 1.9 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.779 HD11 ' OG ' ' A' ' 36' ' ' SER . 18.9 tt -150.49 147.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.1 mt -118.14 113.37 37.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.0 Cg_endo -69.71 132.13 22.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.76 -41.18 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.4 t -52.5 -48.67 65.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -49.54 -49.54 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.433 HG23 HG13 ' A' ' 70' ' ' VAL . 73.6 mt -53.15 115.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 -55.72 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -155.29 144.01 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.73 139.26 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -132.15 161.06 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.37 135.99 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 64' ' ' GLY . 24.3 mt-30 -100.08 167.47 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -35.07 -89.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.86 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -73.5 66.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -144.43 172.18 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 34.7 p90 -153.34 160.14 42.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.597 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -118.74 142.0 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 57' ' ' ILE . 58.2 t -114.28 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.94 133.11 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 p -139.31 171.13 14.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.3 m -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.73 -64.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.6 ptp180 -166.52 137.05 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.7 m -53.94 135.89 41.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 49.7 m-85 -113.67 162.8 15.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG22 ' CD ' ' A' ' 69' ' ' GLU . 22.9 t -127.35 127.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 64.9 m-85 -134.98 133.58 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.662 ' O ' HD22 ' A' ' 14' ' ' LEU . 7.4 ptm180 -109.26 165.98 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 90' ' ' TRP . 9.3 m -116.04 175.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -102.22 -19.17 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -146.06 164.15 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.43 -38.78 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 87' ' ' ARG . 16.5 mt-10 -56.98 -57.21 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.532 ' HA ' HG11 ' A' ' 81' ' ' VAL . 46.7 ttp180 -35.32 -60.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.78 -39.31 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 90' ' ' TRP . 0.8 OUTLIER -64.99 -72.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.542 ' CD1' HG12 ' A' ' 81' ' ' VAL . 58.2 m95 -35.96 -42.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -74.06 -45.27 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' ASP . 22.7 m -59.88 -32.81 71.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.69 -57.01 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.23 -55.41 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -49.44 -53.4 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.09 -36.35 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.58 -15.11 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.24 -43.84 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -35.91 80.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 m -142.5 167.58 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HB2' HD13 ' A' ' 93' ' ' ILE . 29.9 tttp -162.32 138.66 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.8 p -143.66 117.71 9.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.17 -159.75 9.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.8 107.49 18.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' HG12 ' A' ' 81' ' ' VAL . 52.0 mt -117.11 138.61 51.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.34 121.21 29.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -87.19 115.65 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.9 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -74.34 119.07 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -150.2 134.24 16.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -62.32 127.94 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 39' ' ' TYR . 99.0 t -121.03 147.97 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -142.43 150.66 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 21.7 t80 -136.32 121.8 19.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -114.63 11.16 16.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.511 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 97.87 -44.76 1.78 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.52 -55.52 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.513 ' HB3' HD11 ' A' ' 51' ' ' ILE . 11.1 t -153.42 172.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.53 103.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.466 ' CA ' HG13 ' A' ' 51' ' ' ILE . 1.5 t -105.28 130.34 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.615 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.5 p90 -117.25 134.21 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.943 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 36' ' ' SER . 3.9 tt -144.13 151.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mt -124.16 113.37 28.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.35 10.99 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 57' ' ' ILE . 5.7 tp -40.79 -42.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 p -48.3 -50.3 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.8 59.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 54' ' ' LEU . 76.2 mt -50.73 105.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -84.28 -44.1 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -169.93 155.7 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.785 HG11 HG12 ' A' ' 91' ' ' ILE . 46.9 t -113.71 135.98 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -140.73 123.66 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -55.27 139.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' GLY . 20.1 tt0 -139.6 163.98 31.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 35.88 -154.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.2 136.34 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 39.17 38.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -136.52 164.76 27.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 16.4 p90 -146.91 146.97 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 8.0 tt0 -105.27 116.32 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -92.95 100.3 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -66.87 131.5 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.6 p -138.99 156.54 47.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 m -60.08 -53.51 56.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -55.63 -62.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 13.1 ptm180 -170.01 125.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.425 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 32.7 m -43.41 134.57 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 50.7 m-85 -118.5 142.28 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 t -111.93 140.6 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 13.4 m-85 -131.03 137.45 49.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.61 135.88 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG12 ' CD2' ' A' ' 14' ' ' LEU . 27.2 m -112.06 161.01 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -79.0 -18.18 54.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -143.63 145.68 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 16.9 pt-20 -53.84 -53.65 49.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 10.3 mt-10 -36.23 -45.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.09 -43.47 98.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.2 tmm_? -54.68 -45.3 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -72.81 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.6 m-20 -58.86 -65.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.504 ' HA ' HD12 ' A' ' 93' ' ' ILE . 69.4 m95 -39.14 -52.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.785 HG12 HG11 ' A' ' 60' ' ' VAL . 87.5 mt -52.56 -63.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.3 t -45.77 -41.03 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 90' ' ' TRP . 38.4 mt -64.37 -58.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.4 mt -50.28 -51.75 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.87 -52.97 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -46.91 -40.67 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.2 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.8 mt -58.55 -43.64 89.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -46.96 -38.27 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.57 167.78 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HE2' ' CD1' ' A' ' 90' ' ' TRP . 30.0 tttp -164.85 139.3 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.2 p -151.52 119.96 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.97 168.51 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -71.39 110.01 5.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.8 mt -112.91 164.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -108.04 113.2 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -85.22 97.75 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.571 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.738 ' NE2' HH12 ' A' ' 28' ' ' ARG . 6.1 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.97 134.02 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.738 HH12 ' NE2' ' A' ' 26' ' ' GLN . 46.4 mtm-85 -161.59 131.37 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -63.96 135.41 56.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.1 144.56 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 82.6 tttt -146.97 157.61 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 25.8 t80 -132.12 141.89 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.37 -43.69 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 -9.48 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -120.12 -40.0 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -153.46 159.86 42.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 mt -98.38 117.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.746 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.8 p -105.68 117.2 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -122.4 131.26 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 38' ' ' SER . 2.4 tp -143.43 132.6 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -106.42 113.23 63.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.8 Cg_endo -69.73 123.49 10.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 97' ' ' ALA . 10.0 tp -45.69 -29.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -62.35 -44.27 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -55.31 -42.32 73.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.22 117.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -98.36 -48.41 5.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 t -162.0 155.73 21.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.78 148.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -147.15 145.32 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -81.55 140.84 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -133.61 162.66 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.17 -122.31 17.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.37 -46.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.91 33.69 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -129.93 167.03 18.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 3.6 p90 -150.61 161.66 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -119.49 132.52 55.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.76 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.11 116.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -117.06 149.59 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 73' ' ' THR . 7.7 m -60.56 -12.09 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -99.35 -70.3 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 44.4 mtt-85 -152.77 120.87 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.0 m -52.86 135.85 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' ARG . 13.0 m-85 -124.93 146.58 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.93 121.27 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 17.6 m-85 -114.84 132.34 56.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -112.94 142.44 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 87' ' ' ARG . 1.1 m -106.17 167.91 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.29 -18.87 23.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -146.04 131.62 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -40.61 -55.79 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 22.4 tt0 -38.02 -50.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -52.57 -49.3 65.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' HB2' HG21 ' A' ' 81' ' ' VAL . 28.6 ttp180 -42.91 -60.22 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 2.6 t70 -61.93 -63.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.549 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 75.3 m95 -46.11 -53.04 11.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 52.4 mt -57.51 -49.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -54.83 -39.78 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 10' ' ' LYS . 41.7 mt -68.83 -46.76 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.45 -52.9 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' A' ' 98' ' ' LEU . 33.4 mt -59.02 -34.29 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -75.49 -16.93 60.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' O ' HD21 ' A' ' 54' ' ' LEU . . . -90.58 -21.49 21.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 95' ' ' LEU . 15.4 mt -82.62 -19.14 38.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -84.43 -28.92 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tptt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.851 0.357 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.01 170.3 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 93' ' ' ILE . 20.4 tttt -173.6 143.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -150.28 133.65 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.57 149.6 14.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 73.6 m95 -63.11 105.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 90' ' ' TRP . 27.5 mt -121.72 162.3 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.37 120.43 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HE3' ' CZ ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -101.0 125.35 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -46.3 129.93 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -159.22 133.06 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' C ' ' CD1' ' A' ' 29' ' ' TRP . 4.7 t-105 -69.01 129.43 39.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG13 ' CG2' ' A' ' 37' ' ' ILE . 92.5 t -111.38 138.17 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 15.5 tttt -131.81 144.39 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.432 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 31.4 t80 -129.7 126.37 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.76 28.99 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 83.62 -48.62 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 mt -70.64 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -141.03 171.02 14.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.516 ' CG2' HG13 ' A' ' 30' ' ' VAL . 19.2 mt -103.13 108.35 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.791 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.0 t -101.16 114.82 29.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -108.15 138.17 44.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 38' ' ' SER . 3.1 tp -141.98 139.45 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.69 112.07 48.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.5 Cg_endo -69.79 127.15 14.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.9 tp -46.72 -39.89 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -52.75 -47.7 67.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 72' ' ' THR . . . -49.29 -50.7 38.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt -47.7 91.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 53.0 m -76.48 -43.29 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.1 t -166.73 150.08 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.0 t -121.0 141.59 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -148.29 136.77 21.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -69.93 133.81 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -142.56 135.25 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.22 -154.97 51.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.54 130.35 49.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m120 45.67 42.24 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -146.79 161.88 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 15.4 p90 -144.03 173.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.57 ' OE2' HG21 ' A' ' 76' ' ' THR . 24.8 tt0 -121.78 130.97 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.3 t -115.4 102.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -75.91 130.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.481 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 65.7 p -138.46 165.87 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 m -59.86 -60.27 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -50.05 -63.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.1 137.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.57 HG21 ' OE2' ' A' ' 69' ' ' GLU . 31.7 m -57.01 141.49 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.73 166.61 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -131.42 117.97 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 39.8 m-85 -105.31 150.41 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -128.37 126.88 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -97.78 172.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.15 -21.64 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -143.76 158.61 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.75 -54.6 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -39.61 -54.03 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -49.92 -40.11 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -53.99 -55.76 24.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -65.14 -43.6 91.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.15 -60.91 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.511 ' CE2' HD11 ' A' ' 14' ' ' LEU . 67.7 m95 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' PHE . 82.8 mt -50.21 -46.57 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -58.2 8.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 10' ' ' LYS . 81.9 mt -45.22 -50.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 37' ' ' ILE . 28.0 mt -55.53 -61.23 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 92.0 mt -49.74 -50.25 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -54.2 -44.11 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.41 75.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.51 -42.36 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -54.73 -45.97 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HG2' HG13 ' A' ' 9' ' ' VAL . 3.7 pttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG13 ' HG2' ' A' ' 8' ' ' LYS . 28.8 m -132.63 166.42 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 34.5 tttp -173.3 142.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.5 p -149.08 131.27 15.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.7 -177.68 40.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 14.3 m95 -78.0 96.81 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -103.25 123.55 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 127.05 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -104.56 152.58 22.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.1 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 10.3 tppt? -74.15 145.48 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.87 137.57 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.6 t-105 -79.33 106.11 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 13.2 t -109.96 140.57 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -143.01 132.27 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -104.48 121.2 42.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -99.12 -8.43 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.81 -36.79 3.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.03 -51.92 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.9 m -151.49 170.38 19.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 21.7 mt -102.44 113.6 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -107.56 131.2 54.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 1.5 p90 -114.19 167.28 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 2.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.546 ' C ' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.36 142.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.3 mt -105.71 113.2 64.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.717 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.14 44.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.21 -37.37 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 p -54.96 -46.73 75.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -43.37 62.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 HD11 ' A' ' 98' ' ' LEU . 66.9 mt -58.84 106.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -91.16 -35.07 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -168.29 146.62 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.56 139.92 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.64 169.51 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.97 150.41 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' GLY . 3.5 tp-100 -133.43 144.33 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 36.39 -134.88 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.55 124.74 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.6 35.25 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -142.2 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 25.4 p90 -150.69 153.94 36.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.72 136.63 52.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 HG23 ' A' ' 72' ' ' THR . 87.6 t -107.11 113.12 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.171 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.22 109.02 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.43 HG23 HG12 ' A' ' 70' ' ' VAL . 44.0 p -118.43 156.62 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -54.3 -61.43 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -46.15 -60.46 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -173.24 135.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -56.11 134.37 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -110.82 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.6 139.54 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 24.8 m-85 -140.31 141.72 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -118.91 147.43 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 m -115.1 175.96 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -103.06 -38.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -116.64 142.91 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -50.45 -50.1 53.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' ARG . 23.6 mt-10 -50.19 -53.88 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' GLU . 11.6 ttm180 -36.24 -69.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -51.25 -51.69 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -46.44 -63.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.486 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 82.9 m95 -48.0 -59.54 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 54.1 mt -49.62 -66.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -42.95 -53.44 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.67 -57.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -50.5 -56.66 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.3 mt -51.29 -50.07 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -54.1 -43.2 70.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.35 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 57' ' ' ILE . 80.2 mt -71.2 -53.43 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -61.48 -31.18 71.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.52 154.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 22.5 tttm -157.64 135.56 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -148.63 141.68 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.15 -159.79 21.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -108.13 97.85 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 16.2 mt -111.41 156.63 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.98 150.09 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.17 131.89 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -80.01 103.79 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -124.63 125.35 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -66.49 123.6 20.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 26.3 t -115.36 150.82 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -151.86 126.47 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 21.0 t80 -100.44 133.61 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -112.88 9.09 18.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 93.47 -23.96 27.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.54 -48.47 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.4 m -151.22 164.76 35.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.531 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 48.0 mt -94.1 104.01 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -93.2 110.15 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' HH ' ' N ' ' A' ' 50' ' ' GLY . 16.1 p90 -120.03 139.6 52.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.537 ' N ' ' HH ' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.9 tt -150.34 137.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 mt -102.6 114.59 65.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.9 Cg_endo -69.74 137.24 35.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.324 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tp -55.48 -35.08 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.2 p -58.41 -41.84 85.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -52.55 -46.22 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.49 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 t -74.43 -42.63 58.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -162.79 136.7 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -111.93 142.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.6 ptm85 -149.07 157.45 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.419 HG12 ' CD1' ' A' ' 91' ' ' ILE . 23.1 m -83.35 147.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . 84.5 mt-30 -110.98 147.51 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.71 -71.99 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.96 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -76.02 52.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -145.15 172.28 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.9 p90 -133.9 156.87 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.92 132.63 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.8 t -118.44 97.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.94 121.75 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 75.6 p -115.42 -178.77 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.58 -26.02 32.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.7 -66.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 6.2 ptm180 -154.6 123.26 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.8 m -44.5 137.3 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.45 147.46 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.01 107.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 56.0 m-85 -103.47 144.23 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -117.29 146.42 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.7 m -109.99 175.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -99.96 -21.84 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -137.68 144.4 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -49.74 -41.07 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.09 -58.82 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.76 -38.35 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -49.48 -59.25 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.58 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.95 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.784 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 62.6 m95 -39.51 -62.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 92' ' ' SER . 75.6 mt -43.97 -67.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' ILE . 23.4 m -35.58 -58.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.87 -51.78 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.92 -52.53 65.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.2 mt -52.25 -44.09 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 18.0 t-20 -66.18 -38.0 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -28.04 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.8 mt -72.68 -45.64 57.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 ptpp? -69.61 -37.33 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 m -134.42 177.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 23.3 tttp -163.32 138.1 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -147.6 120.23 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 29' ' ' TRP . . . -171.03 164.27 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 91.1 m95 -63.71 110.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.4 mt -109.22 127.71 54.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.43 115.14 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -111.27 145.79 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' OE1' ' NH2' ' A' ' 28' ' ' ARG . 26.0 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 29.7 tttm -111.13 85.99 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 28.7 mmt85 -110.3 147.05 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.1 t-105 -81.79 141.91 33.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.8 t -132.79 147.58 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 31' ' ' LYS . 8.0 tmtt? -149.75 144.47 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -126.77 134.53 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.98 -30.93 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.26 4.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.2 mt -111.34 -45.53 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' HD11 ' A' ' 51' ' ' ILE . 16.1 p -149.12 163.05 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.68 106.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 p -94.03 120.76 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 46.1 p90 -123.76 126.18 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.51 HD11 ' OG ' ' A' ' 36' ' ' SER . 4.6 tt -129.06 133.79 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mt -109.37 116.91 54.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.8 Cg_endo -69.82 131.14 20.53 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -48.19 -31.38 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -64.12 -42.54 96.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.554 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -56.23 -46.0 79.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 85.2 mt -54.05 92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 m -67.59 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 t -170.7 155.95 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -124.25 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -150.84 138.21 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -60.28 133.26 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.9 119.97 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.89 -167.52 38.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.99 115.67 28.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 55.97 45.08 24.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -143.84 170.72 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 91' ' ' ILE . 31.0 p90 -154.63 145.0 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -105.74 121.42 43.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.59 111.39 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 127.99 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.6 p -130.77 172.42 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -63.32 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -44.32 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -165.51 142.13 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 68.9 m -52.58 142.11 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.25 161.14 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.89 122.33 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 62.5 m-85 -122.39 137.38 54.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -116.05 157.17 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.21 165.57 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.05 -12.17 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -143.77 143.32 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -56.65 -50.4 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 19.0 mt-10 -47.06 -42.53 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -44.15 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.66 -65.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 1.2 p30 -50.41 -40.84 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.34 -55.91 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 68.6 m95 -51.36 -60.77 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' PHE . 94.4 mt -50.03 -49.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m -51.65 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 57.0 mt -56.5 -53.95 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.18 -54.92 24.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.88 -43.71 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.75 -44.1 81.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.3 90.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.01 -39.12 65.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -57.56 -20.74 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.09 168.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.675 ' HB2' HD13 ' A' ' 93' ' ' ILE . 34.7 tptt -161.93 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -157.47 120.87 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.0 169.36 38.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -82.84 91.0 6.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 13.2 mt -102.05 149.19 24.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' A' ' 26' ' ' GLN . 7.1 t0 -88.99 130.72 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 1.5 mmmp? -84.71 143.99 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' C ' ' OD1' ' A' ' 15' ' ' ASP . 51.8 mt-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -52.15 126.2 17.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -151.94 162.48 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -85.28 144.65 27.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 39' ' ' TYR . 62.1 t -136.2 138.61 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -137.39 129.15 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 33.2 t80 -113.72 126.89 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -115.37 25.71 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.538 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 84.88 -46.56 3.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.42 -59.41 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.425 ' OG ' HD11 ' A' ' 51' ' ' ILE . 32.0 p -150.04 171.08 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -104.47 103.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 118.84 36.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.591 ' CE2' ' HE3' ' A' ' 16' ' ' LYS . 47.7 p90 -113.57 133.26 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.425 HD11 ' OG ' ' A' ' 36' ' ' SER . 16.8 tt -140.88 141.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 63.7 mt -111.96 112.11 53.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.1 tp -37.59 -43.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -46.22 -47.47 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.81 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -52.82 126.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -108.55 -48.8 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -154.51 145.17 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.3 t -116.59 136.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.27 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 m -90.67 138.03 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -151.61 129.55 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.63 -177.02 54.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 66' ' ' ASN . 13.6 t70 -77.11 117.93 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 65' ' ' ASP . 28.5 m-80 49.3 44.64 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -141.77 164.41 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HE1' HG13 ' A' ' 81' ' ' VAL . 5.8 p90 -144.98 157.16 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 15.8 tt0 -108.63 120.87 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -95.78 100.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.09 145.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.9 p -152.14 174.31 13.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -76.2 -44.49 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -64.3 -58.99 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 ptp180 -172.49 131.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 42.1 m -51.15 134.59 26.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 81.8 m-85 -114.08 176.46 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.33 140.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.22 153.51 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -124.92 137.22 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' HE1' ' A' ' 68' ' ' PHE . 29.8 m -103.09 177.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -106.73 -17.25 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -138.52 148.99 44.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.75 -47.49 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.86 -50.46 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -45.91 -54.24 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -41.61 -58.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.63 -50.5 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD2' ' CE ' ' A' ' 10' ' ' LYS . 4.7 t70 -51.68 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 90.8 m95 -40.87 -57.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.1 mt -52.32 -62.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -46.27 -43.81 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' A' ' 10' ' ' LYS . 43.3 mt -59.33 -56.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.6 mt -52.64 -59.29 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.2 mt -51.2 -35.3 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.41 -31.18 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.4 69.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.91 -48.17 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -51.16 -48.52 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.75 175.4 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.2 tttm -170.51 140.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.8 p -144.18 128.63 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.13 148.92 13.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -60.06 113.43 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 86.7 mt -118.24 170.02 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 17.3 m-20 -109.4 149.2 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -113.78 105.27 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD22 ' HB ' ' A' ' 78' ' ' VAL . 16.3 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.14 148.58 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -163.61 133.79 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.05 121.81 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 39' ' ' TYR . 84.3 t -115.78 146.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -146.57 142.15 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -128.51 139.58 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.57 -42.53 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.87 -21.75 0.6 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp -97.44 -50.88 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 p -154.0 165.86 34.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.35 118.62 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 m -111.64 120.96 43.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.486 ' HB3' HG22 ' A' ' 30' ' ' VAL . 4.0 p90 -116.65 140.29 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.5 149.83 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.101 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -117.6 112.86 38.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.2 Cg_endo -69.75 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 tp -59.04 -33.42 70.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.0 p -63.13 -36.6 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.671 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -57.46 -46.85 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.13 93.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -69.64 -48.99 57.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -162.7 147.28 11.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.616 HG11 HG12 ' A' ' 91' ' ' ILE . 60.5 t -110.84 136.66 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 3.0 ptp180 -146.92 121.75 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.646 HG12 HD11 ' A' ' 91' ' ' ILE . 31.3 m -66.03 153.3 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 64' ' ' GLY . 18.8 tt0 -112.26 163.19 14.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -36.11 -77.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.37 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.576 ' O ' HG22 ' A' ' 81' ' ' VAL . 67.8 m-20 -76.39 50.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -136.48 170.29 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 33.9 p90 -139.0 162.04 35.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HG3' HG22 ' A' ' 78' ' ' VAL . 12.2 tt0 -115.48 120.68 40.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -98.94 101.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.43 118.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.7 p -113.81 174.66 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.1 m -74.94 -27.81 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 35.4 mm-40 -83.82 -75.67 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -145.87 122.26 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.1 m -48.0 127.97 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -109.22 163.79 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.494 ' HB ' HD22 ' A' ' 17' ' ' LEU . 99.4 t -133.23 121.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 31.4 m-85 -109.65 159.14 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.445 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 48.0 ttp85 -129.12 148.1 51.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 66' ' ' ASN . 11.1 m -118.09 173.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.64 -27.34 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -127.14 163.88 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.56 -46.93 71.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -58.95 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -46.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.448 ' HB2' HG21 ' A' ' 81' ' ' VAL . 28.7 ttp180 -58.1 -52.01 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -57.54 -42.17 82.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.43 -58.65 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -46.12 -62.02 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.646 HD11 HG12 ' A' ' 62' ' ' VAL . 87.1 mt -50.29 -58.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -42.44 -46.25 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 76.9 mt -64.12 -44.02 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.76 -58.46 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.87 -33.69 37.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.36 -29.88 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.86 -34.37 60.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.92 -53.26 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -52.8 -35.43 56.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.81 170.95 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 26.0 tttp -164.69 141.02 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -152.4 132.63 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 -134.09 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -122.32 99.63 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 53.8 mt -103.78 123.65 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.27 118.36 30.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 35.1 ttpt -122.85 153.38 39.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -99.44 127.69 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -150.74 138.02 19.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -72.19 135.17 46.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 31' ' ' LYS . 21.6 t -124.59 160.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.515 ' N ' HG12 ' A' ' 30' ' ' VAL . 22.8 tttp -158.19 148.38 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.457 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 23.4 t80 -124.88 132.99 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.13 4.29 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 101.47 -37.37 3.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.31 -58.37 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -142.72 155.01 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -88.9 104.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.9 p -94.0 120.45 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -122.39 142.34 50.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.5 tt -143.02 138.06 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.3 mt -108.34 115.46 58.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.622 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.78 131.12 20.55 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.585 HD21 ' O ' ' A' ' 97' ' ' ALA . 15.1 tp -47.5 -31.23 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -65.48 -38.83 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -58.46 -40.77 83.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.31 126.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -102.97 -49.59 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 t -163.24 145.79 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.31 139.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -147.79 147.79 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.09 135.88 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -148.18 118.49 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.89 -179.08 51.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.31 120.28 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 52.19 48.56 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -148.09 163.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 11.7 p90 -152.07 151.29 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' A' ' 78' ' ' VAL . 25.7 tt0 -107.94 119.34 39.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.45 94.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.53 ' HA ' HG23 ' A' ' 76' ' ' THR . 31.0 t -73.82 122.0 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -114.38 -175.28 2.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -72.87 124.94 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 49.55 24.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -172.44 165.6 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.53 HG23 ' HA ' ' A' ' 71' ' ' VAL . 97.2 m -146.68 130.51 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -109.76 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' HG3' ' A' ' 69' ' ' GLU . 26.0 t -106.49 117.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 30.2 m-85 -110.5 161.88 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -137.32 140.2 41.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -107.32 176.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -104.44 -34.14 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -120.42 153.5 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.91 -58.43 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -41.58 -51.82 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -48.93 -41.98 35.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -52.18 -61.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.4 p30 -57.47 -50.35 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -48.66 -55.3 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -52.09 -59.25 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 53.5 mt -52.89 -63.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -40.17 -55.51 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 81.2 mt -50.92 -48.25 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.38 -53.27 59.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 98' ' ' LEU . 86.8 mt -54.84 -35.32 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -70.42 -39.32 74.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.585 ' O ' HD21 ' A' ' 54' ' ' LEU . . . -74.38 -14.88 60.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 95' ' ' LEU . 11.2 mt -89.7 -57.2 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -45.81 -36.67 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tptt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.19 -175.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 25.8 tttp -170.67 137.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -149.18 123.94 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.65 176.06 44.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 92.2 m95 -72.52 111.69 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.506 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 61.0 mt -120.28 131.75 55.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.94 108.47 7.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -89.59 156.41 18.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 25.0 mt-30 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 32.5 tttm -92.48 94.88 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' NE ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -118.41 153.9 33.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -76.86 129.86 36.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' HB ' HD12 ' A' ' 14' ' ' LEU . 88.6 t -116.97 143.0 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' A' ' 33' ' ' ASP . 1.4 tmtp? -140.19 142.32 35.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 27.5 t80 -132.97 128.23 35.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' HB2' ' CE ' ' A' ' 31' ' ' LYS . 29.9 t0 -120.05 29.79 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 81.35 -36.72 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.91 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.8 m -143.28 172.67 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -108.15 109.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -104.55 116.62 32.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -110.24 121.23 44.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 tt -148.6 146.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mt -115.78 111.68 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -39.67 -38.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -52.12 -47.04 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.33 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' HD22 ' A' ' 98' ' ' LEU . 67.0 mt -52.8 106.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -87.95 -41.75 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -168.05 158.88 10.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 70' ' ' VAL . 60.1 t -137.77 144.94 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -152.34 153.84 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 62' ' ' VAL . 31.6 m -73.86 124.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' O ' ' C ' ' A' ' 64' ' ' GLY . 11.5 tt0 -99.75 117.64 34.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 31.12 -99.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -75.29 48.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.626 ' NZ ' HG12 ' A' ' 78' ' ' VAL . 4.3 mtpm? -126.29 176.46 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 46.3 p90 -148.1 144.87 28.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 12.2 tt0 -100.55 113.88 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.434 ' HA ' HG22 ' A' ' 60' ' ' VAL . 87.9 t -90.99 99.8 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.74 134.88 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.7 p -145.5 159.61 42.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.3 m -63.69 -46.99 83.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.73 -65.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' THR . 13.5 ptm180 -171.6 120.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.493 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 87.5 m -35.43 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.42 164.47 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.626 HG12 ' NZ ' ' A' ' 67' ' ' LYS . 41.5 t -137.02 135.3 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 57.0 m-85 -132.54 156.54 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.32 144.56 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.456 HG11 ' HA ' ' A' ' 87' ' ' ARG . 30.9 m -101.82 175.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -108.15 -20.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.55 155.43 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -57.58 -43.86 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.15 -53.07 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -45.11 -43.89 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HA ' HG11 ' A' ' 81' ' ' VAL . 33.7 ttp85 -49.92 -44.04 50.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -81.31 -40.85 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.53 -61.98 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 86.0 m95 -47.82 -62.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 68' ' ' PHE . 64.4 mt -51.05 -48.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 t -55.14 -41.87 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 83.1 mt -66.62 -45.58 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.77 -54.46 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 98' ' ' LEU . 83.7 mt -55.29 -36.94 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.86 -34.27 62.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.1 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 95' ' ' LEU . 12.7 mt -58.82 -47.55 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.54 -44.61 72.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 tttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.46 173.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.5 tttm -166.32 141.36 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -151.76 147.44 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.88 159.58 21.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -70.03 107.12 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 16.3 mt -117.33 141.19 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -72.94 125.53 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 20.5 tptm -116.09 147.53 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.85 HD23 ' HB ' ' A' ' 78' ' ' VAL . 4.5 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -175.12 117.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -151.05 129.06 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -71.63 150.88 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' HD12 ' A' ' 14' ' ' LEU . 56.9 t -145.54 129.52 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -132.12 145.26 51.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -124.49 137.26 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.59 -38.44 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.64 -26.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -97.78 -49.04 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 51' ' ' ILE . 93.8 p -150.33 170.97 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 30' ' ' VAL . 18.0 mt -110.02 119.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 m -101.39 124.47 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CE1' ' C ' ' A' ' 50' ' ' GLY . 24.7 p90 -119.04 138.11 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.536 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.528 HD11 ' OG ' ' A' ' 36' ' ' SER . 20.0 tt -150.65 139.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 23.1 mt -116.7 112.41 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.1 Cg_endo -69.76 119.2 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.6 tp -37.57 -42.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -51.97 -47.02 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -52.73 -46.6 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.09 112.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.46 ' HB2' HG12 ' A' ' 71' ' ' VAL . 3.0 m -87.76 -49.21 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -151.74 164.24 37.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -138.62 129.44 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.91 170.18 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.6 m -98.52 145.22 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' GLY . 7.2 tt0 -105.27 160.1 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.15 -69.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.69 -176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -76.62 50.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -142.53 175.1 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 6.0 p90 -137.33 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -118.05 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -91.45 92.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 58' ' ' SER . 88.9 t -65.11 126.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' THR . 2.4 p -137.31 129.29 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . 55.8 m -33.96 -56.12 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -49.68 -72.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -161.45 121.85 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.5 m -45.86 142.29 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -127.79 170.25 12.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.85 ' HB ' HD23 ' A' ' 17' ' ' LEU . 34.5 t -135.43 136.97 50.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 40.9 m-85 -130.02 135.78 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -112.0 139.84 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 m -104.58 177.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.8 -22.85 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -136.29 145.08 45.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -52.13 -41.52 62.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.471 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 15.9 tt0 -58.83 -43.99 90.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.33 -43.67 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -53.92 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.471 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 2.0 p30 -54.92 -36.5 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -58.79 -50.97 71.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.662 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 79.9 m95 -60.72 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.559 HG22 HD12 ' A' ' 95' ' ' LEU . 71.2 mt -48.85 -40.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.3 t -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 70.5 mt -67.52 -46.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.22 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 91' ' ' ILE . 28.9 mt -52.04 -33.66 39.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -79.53 -19.31 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.57 -29.71 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.8 -53.19 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -52.38 -32.64 39.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.902 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.01 175.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HB2' HD13 ' A' ' 93' ' ' ILE . 23.2 tptt -160.09 152.94 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 p -158.23 125.64 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 138.17 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 87.1 m95 -50.37 112.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 68.4 mt -109.33 141.12 42.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.26 97.45 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 28.6 tttm -104.54 148.09 26.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 32.8 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.72 123.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -147.59 134.02 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 2.3 t-105 -73.99 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG13 ' CG2' ' A' ' 37' ' ' ILE . 86.9 t -112.69 148.01 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -146.38 132.03 18.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 47.3 t80 -123.42 124.93 44.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 35' ' ' LEU . 10.7 t70 -109.25 21.48 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 91.68 -38.2 3.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -78.04 -62.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 51' ' ' ILE . 17.6 m -144.59 175.63 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.513 ' CG2' HG13 ' A' ' 30' ' ' VAL . 27.4 mt -111.71 108.44 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.414 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 40.2 m -109.62 114.04 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -105.32 159.28 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -137.35 139.02 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' N ' HD13 ' A' ' 51' ' ' ILE . 22.4 mt -109.28 111.19 60.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.4 Cg_endo -69.75 142.05 46.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.64 -39.56 73.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 t -53.33 -46.56 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -48.43 -48.26 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.874 HD13 HD22 ' A' ' 94' ' ' LEU . 81.2 mt -50.8 92.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -78.03 -44.99 24.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.1 t -166.19 139.41 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.53 144.91 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 2.2 ptm85 -141.12 121.38 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 91' ' ' ILE . 31.4 m -50.24 153.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 67' ' ' LYS . 13.5 mm100 -111.03 178.36 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -32.55 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASN . 1.6 m-20 -134.57 145.57 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ASP . 24.7 m-80 35.63 44.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 63' ' ' GLN . 8.1 mtmp? -148.29 176.69 10.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.429 ' C ' ' HG2' ' A' ' 63' ' ' GLN . 21.0 p90 -167.32 152.56 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.619 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -111.77 128.5 56.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -106.72 99.94 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.6 126.88 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.9 p -131.25 158.48 40.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.1 m -58.87 -48.77 80.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.33 -62.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.6 ptt180 -172.9 116.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ARG . 43.7 m -37.06 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -120.05 138.85 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.619 HG22 ' CD ' ' A' ' 69' ' ' GLU . 60.6 t -97.04 131.87 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.406 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 m-85 -128.33 158.4 38.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -136.91 131.35 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.73 HG21 ' HB2' ' A' ' 87' ' ' ARG . 13.0 m -95.05 173.83 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -102.4 -26.67 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -128.37 153.17 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -58.96 -46.52 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.34 -47.52 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -55.78 -49.06 74.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.13 -46.59 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.3 -52.51 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.557 ' OD1' HD11 ' A' ' 93' ' ' ILE . 4.6 t70 -46.7 -60.45 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.603 ' HA ' HD12 ' A' ' 93' ' ' ILE . 60.5 m95 -42.73 -56.94 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 62' ' ' VAL . 77.6 mt -51.23 -62.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -42.81 -55.33 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 90' ' ' TRP . 31.5 mt -44.14 -60.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.874 HD22 HD13 ' A' ' 57' ' ' ILE . 29.6 mt -47.66 -57.13 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 65.5 mt -50.84 -47.9 60.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -58.35 -39.88 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.92 -57.76 11.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.3 mt -38.77 -46.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.53 -50.89 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.32 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.4 -178.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 40.4 tttp -165.6 137.33 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -143.26 147.88 35.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.66 163.45 15.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 96.5 m95 -67.34 108.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 96.1 mt -109.03 145.08 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 126.54 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -113.74 158.91 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.2 ttmm -115.75 119.12 35.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -147.76 136.02 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -62.94 124.34 20.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 31' ' ' LYS . 37.3 t -114.68 157.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 30' ' ' VAL . 28.6 tttt -159.62 140.65 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.528 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 45.3 t80 -121.1 138.75 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.07 -29.08 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 130.41 -14.28 5.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 12.4 mt -105.43 -42.79 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 p -155.13 175.48 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.3 mt -109.95 106.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.442 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 61.4 m -113.89 115.8 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -119.27 145.53 46.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -146.24 140.76 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 51' ' ' ILE . 13.5 mt -124.82 112.87 27.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.2 tp -38.44 -37.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 t -53.97 -49.87 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.19 -49.65 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.1 mt -47.83 129.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 -44.72 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 t -166.76 133.25 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.01 134.6 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -140.97 161.65 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.85 145.61 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 69' ' ' GLU . 8.7 mt-30 -149.5 138.77 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.83 -138.96 21.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -101.42 -65.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.646 ' O ' HG22 ' A' ' 81' ' ' VAL . 2.4 m120 -120.9 42.33 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -137.91 165.24 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 14.2 p90 -140.4 160.39 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HB2' ' NE2' ' A' ' 63' ' ' GLN . 20.6 tt0 -114.9 116.25 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -96.2 104.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.408 ' HA ' HG23 ' A' ' 76' ' ' THR . 85.1 t -72.88 117.42 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -128.99 129.41 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' THR . 9.6 m -35.61 -55.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -47.74 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -170.92 111.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 71' ' ' VAL . 35.7 m -40.37 135.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -117.57 177.19 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.22 122.1 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 33.1 m-85 -117.61 143.63 45.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -115.53 149.83 37.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 66' ' ' ASN . 13.7 m -111.9 174.47 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -102.78 -24.1 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -142.33 159.99 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.74 -54.41 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -42.27 -47.21 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -53.18 -42.44 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -48.81 -62.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.83 -49.22 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -50.12 -68.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.634 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 68.4 m95 -41.97 -59.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.72 -68.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -37.89 -47.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.23 -53.21 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.0 mt -54.33 -57.65 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.98 -49.61 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -46.8 -40.84 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.17 87.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.41 -29.85 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.44 -56.92 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 60.58 41.77 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -74.98 168.1 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.78 92.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -103.35 168.21 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -67.2 146.01 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.47 52.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.7 5.02 51.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.14 163.28 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.647 ' HB2' HD13 ' A' ' 93' ' ' ILE . 22.6 tttp -166.71 141.02 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 p -148.94 132.13 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.49 166.11 35.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -60.55 121.52 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 mt -129.67 140.54 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.69 110.74 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -91.49 146.33 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp -94.02 90.85 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.488 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -70.17 -60.27 3.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.6 Cg_endo -69.78 160.94 47.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 60.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.93 20.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt 38.95 33.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -82.31 -22.27 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -167.11 -178.86 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -142.65 140.68 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -113.33 128.02 56.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 28' ' ' ARG . 26.5 ttmt -83.75 135.97 34.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -146.09 147.39 31.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -73.43 131.59 42.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 39' ' ' TYR . 99.6 t -125.33 153.51 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 30' ' ' VAL . 41.4 tttt -157.74 136.46 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -116.04 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -103.98 -41.96 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.34 -16.8 1.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 29.4 mt -108.88 -44.21 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -147.19 172.6 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -106.87 112.0 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -100.52 111.23 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.69 ' HB2' HG22 ' A' ' 30' ' ' VAL . 5.9 p90 -129.86 118.99 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.5 165.97 10.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -71.72 144.13 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -46.65 -46.48 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -82.24 152.12 26.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -69.04 127.6 33.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -132.33 163.1 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 mtp -130.87 147.11 52.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 61.91 40.45 12.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 t -122.23 150.62 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -132.03 146.58 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.3 79.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 tt -136.71 130.3 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.36 117.67 61.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.662 0.744 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.619 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.6 Cg_endo -69.8 133.23 25.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 6.4 tp -53.36 -31.37 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -64.15 -40.65 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -56.62 -44.93 81.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 98' ' ' LEU . 93.7 mt -50.18 103.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -83.38 -46.9 12.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -155.86 155.95 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 t -128.08 141.28 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -149.38 168.97 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.663 HG12 ' HD3' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -94.11 151.05 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -142.41 148.91 38.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 39.86 -149.27 0.14 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -101.34 127.23 48.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 54.76 35.09 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -137.66 166.79 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 2.2 p90 -156.01 159.77 39.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.692 ' HG3' HG22 ' A' ' 78' ' ' VAL . 19.5 tt0 -120.0 120.82 37.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.34 108.07 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.525 ' HA ' HG23 ' A' ' 76' ' ' THR . 21.5 t -76.52 132.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -130.31 139.49 50.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 m -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 92.2 mm-40 -83.88 -75.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 4.8 mpt_? -149.23 123.03 9.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.525 HG23 ' HA ' ' A' ' 71' ' ' VAL . 9.3 m -47.5 137.43 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -120.89 151.17 40.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 ' HG3' ' A' ' 69' ' ' GLU . 61.3 t -121.51 118.29 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 80.2 m-85 -113.76 137.0 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.52 142.26 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.613 HG21 ' HB2' ' A' ' 87' ' ' ARG . 6.0 m -108.36 177.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.12 -18.96 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -127.88 154.4 45.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.47 -51.98 44.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.77 -35.0 29.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.53 -50.77 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.663 ' HD3' HG12 ' A' ' 62' ' ' VAL . 6.2 tmm_? -46.52 -53.95 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -66.98 -40.98 87.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -55.21 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.601 ' HA ' HD12 ' A' ' 93' ' ' ILE . 52.5 m95 -44.14 -61.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -44.98 -57.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -50.59 -51.87 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 10' ' ' LYS . 41.0 mt -49.31 -45.98 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.18 -53.72 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -53.61 -37.38 62.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.12 -39.34 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.14 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD11 ' CG2' ' A' ' 57' ' ' ILE . 16.6 mt -84.61 -36.83 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -68.46 -32.56 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 t -65.76 -42.93 90.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -77.39 -26.1 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.9 t -129.88 102.76 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.62 156.93 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.0 m 46.74 43.46 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.3 t -91.47 176.97 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -57.06 114.99 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.4 m -84.62 137.82 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -95.95 -54.2 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.27 125.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.3 m -99.6 141.35 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.31 76.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.6 t -153.08 127.39 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.4 p -116.11 118.16 32.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -137.6 173.96 11.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.28 118.51 27.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.63 121.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.501 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -74.83 94.1 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -81.59 174.36 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.17 87.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -102.48 17.44 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.28 176.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG2' ' CE2' ' A' ' 90' ' ' TRP . 29.9 tptt -160.72 151.53 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -153.2 142.48 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.73 144.46 4.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -56.52 107.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD12 ' HB ' ' A' ' 30' ' ' VAL . 19.5 mt -103.94 130.42 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -91.43 111.48 22.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 3.6 ptmm? -103.43 -175.14 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -121.64 90.33 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.503 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -66.01 -60.2 7.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.686 0.755 . . . . 0.0 110.842 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 18' ' ' SER . 54.5 Cg_endo -69.69 147.69 63.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.38 -39.36 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.86 -92.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.21 164.57 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -103.57 105.6 15.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtt -136.29 -177.56 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' CB ' ' NH2' ' A' ' 80' ' ' ARG . 11.1 m-85 -145.74 123.89 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -101.36 119.04 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -78.86 112.85 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -137.07 133.63 35.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -61.51 136.11 57.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 14' ' ' LEU . 74.6 t -129.76 142.04 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -144.19 123.47 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 25.1 t80 -103.66 126.97 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -111.87 18.58 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 90.63 -47.95 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.445 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt -71.75 -59.02 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.69 ' OG ' HD11 ' A' ' 51' ' ' ILE . 23.2 p -144.12 170.12 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.79 105.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.4 m -93.67 122.49 36.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.6 129.3 42.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -113.31 179.62 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.1 167.11 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -65.64 174.48 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -52.45 115.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -148.01 153.8 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -37.94 -45.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -133.72 175.14 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.14 140.31 52.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -107.7 120.38 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.83 153.17 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.78 110.18 0.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.69 HD11 ' OG ' ' A' ' 36' ' ' SER . 13.2 tt -149.4 150.47 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.355 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mt -121.87 115.3 30.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 52.8 Cg_endo -69.85 135.71 30.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' A' ' 57' ' ' ILE . 5.8 tp -53.04 -34.15 55.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.6 p -58.94 -39.28 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -60.65 -43.01 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 54' ' ' LEU . 41.9 mt -57.65 103.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -81.94 -52.11 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 t -153.28 153.76 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -125.31 139.77 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -141.17 150.1 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.42 149.85 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HB2' ' N ' ' A' ' 68' ' ' PHE . 8.5 mm100 -131.67 141.38 49.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.08 -119.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -117.28 -53.7 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.66 46.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -148.05 170.42 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.434 ' N ' ' HB2' ' A' ' 63' ' ' GLN . 35.5 p90 -157.77 155.37 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 10.7 tt0 -108.03 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -105.74 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HA ' HG23 ' A' ' 76' ' ' THR . 59.5 t -67.29 139.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -144.48 168.56 19.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -61.94 -61.17 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.09 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -170.64 120.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 71' ' ' VAL . 89.5 m -39.16 149.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.88 156.64 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.83 113.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 53.4 m-85 -109.05 158.72 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.465 ' NH2' ' CB ' ' A' ' 25' ' ' PHE . 49.1 ttp180 -133.03 141.34 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.9 m -104.79 176.24 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -98.24 -18.18 18.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -138.92 143.94 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.69 -41.11 66.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -56.69 -51.57 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -47.85 -39.36 18.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -49.88 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -55.81 -49.49 73.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -65.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.448 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 67.5 m95 -44.38 -58.27 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' SER . 39.5 mt -48.36 -71.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' ILE . 8.7 t -36.25 -53.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -51.41 -48.9 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.2 -57.46 11.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.69 -48.42 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.34 -44.51 65.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.82 -43.83 82.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.604 HD23 ' NE2' ' A' ' 101' ' ' GLN . 10.2 mt -52.44 -42.23 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -53.56 -35.42 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.604 ' NE2' HD23 ' A' ' 98' ' ' LEU . 54.7 mt-30 -43.66 -40.22 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -43.91 -58.01 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.558 HD11 ' HG2' ' A' ' 108' ' ' GLN . 32.2 mt 51.83 49.53 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.1 t -52.69 130.31 32.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.7 m 46.75 30.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -139.61 153.98 47.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -139.25 126.1 20.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.558 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -117.01 151.81 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -121.97 117.92 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.9 p -153.28 151.82 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.43 83.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.27 6.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t -62.41 137.96 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.4 t -52.93 147.61 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -174.48 171.95 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -125.34 148.65 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.63 -73.24 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m 52.95 44.46 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -152.41 114.6 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.85 116.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -110.07 10.81 24.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.84 167.41 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 34.4 tttp -170.35 139.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t -144.52 154.04 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.72 151.03 5.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.64 103.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' CE2' ' A' ' 90' ' ' TRP . 12.6 mt -103.27 143.07 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -86.34 99.39 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 22.5 tptp -97.81 147.72 24.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 24' ' ' MET . 24.8 tp -108.33 73.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.478 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -73.62 -61.19 1.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 110.848 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 18' ' ' SER . 54.1 Cg_endo -69.72 -177.79 2.03 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.723 2.282 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -110.61 131.27 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.92 159.03 23.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ARG . 8.5 pttm -69.66 114.47 7.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' LYS . 27.0 mmt180 36.22 45.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -111.96 114.51 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -112.1 164.58 13.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -128.11 135.57 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -74.21 110.75 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' NH1' ' CG ' ' A' ' 41' ' ' ASN . 6.3 mmm180 -128.56 145.03 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -88.33 117.1 27.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG22 ' HB2' ' A' ' 39' ' ' TYR . 21.5 t -112.48 142.11 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -143.52 130.88 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -108.59 128.94 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.86 -33.2 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.49 -13.21 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.21 -42.97 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 51' ' ' ILE . 32.6 p -153.33 161.71 42.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.485 HD11 HD21 ' A' ' 94' ' ' LEU . 64.8 mt -96.87 109.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -100.42 112.88 25.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' HB2' HG22 ' A' ' 30' ' ' VAL . 22.0 p90 -119.67 122.86 42.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -115.34 -175.62 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' CG ' ' NH1' ' A' ' 28' ' ' ARG . 14.7 p-10 -151.65 163.2 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.05 91.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.28 119.72 9.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -103.44 -61.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.29 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 mtm -118.99 177.87 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -137.9 129.84 28.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 p -118.89 113.27 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -62.36 144.71 55.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.7 114.11 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.409 HD11 ' OG ' ' A' ' 36' ' ' SER . 12.8 tt -149.9 141.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.3 mt -115.97 115.64 40.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.81 124.4 11.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -45.03 -32.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 p -60.76 -45.17 95.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -54.31 -48.5 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.9 mt -54.1 107.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -82.21 -47.17 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.9 t -158.95 163.62 36.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.3 t -131.46 139.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -140.69 146.21 37.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.46 147.42 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -111.11 151.24 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -37.36 -70.41 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.19 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.33 55.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -146.45 166.26 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 10.9 p90 -135.68 149.6 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 19.2 tt0 -103.62 138.27 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t -120.85 101.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -75.3 137.27 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' THR . 19.1 p -114.38 -175.19 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' THR . 22.6 m -34.03 -52.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.14 -52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -179.85 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.408 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 19.7 m -138.77 145.68 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -112.89 164.2 13.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.13 133.22 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 45.0 m-85 -130.85 146.29 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -120.88 132.88 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.21 168.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -105.08 -25.15 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -120.53 167.51 12.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -77.59 -55.12 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -49.28 -42.45 41.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ARG . 75.7 mt-10 -51.08 -55.71 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' GLU . 7.4 ttm105 -34.39 -61.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -60.94 -48.25 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.02 -66.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.472 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.9 m95 -43.63 -60.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LEU . 74.3 mt -50.97 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' ILE . 7.4 t -37.18 -49.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 84.0 mt -57.13 -42.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.485 HD21 HD11 ' A' ' 37' ' ' ILE . 65.6 mt -65.79 -64.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 98' ' ' LEU . 25.7 mt -47.57 -49.62 26.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.65 -34.28 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.38 -18.74 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 95' ' ' LEU . 16.7 mt -85.0 -33.51 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -68.7 -29.55 68.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -64.09 -44.35 92.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -42.11 -41.0 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -95.6 125.68 40.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.8 p -134.47 137.19 43.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 t -74.83 -49.76 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -48.88 125.92 11.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.4 m 54.54 51.48 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -64.04 129.99 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 53.18 44.46 30.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.049 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.3 t -108.88 115.54 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.97 148.47 18.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 132.17 22.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 m -90.5 104.5 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -67.75 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -61.31 142.74 56.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -48.17 150.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.62 -158.04 8.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.417 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -60.74 167.94 2.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -88.78 124.93 34.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.97 109.68 0.35 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.544 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -107.91 16.18 23.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.87 175.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG2' ' CZ2' ' A' ' 90' ' ' TRP . 20.3 tttp -166.22 150.45 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.5 p -152.23 129.43 11.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.7 167.15 38.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 78.9 m95 -69.6 104.64 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.646 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 84.4 mt -111.27 142.74 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.02 145.56 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -123.92 140.86 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.0 93.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.6 t -134.31 58.1 28.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 127.12 14.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -128.81 42.25 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.96 -90.05 0.57 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -77.01 -52.15 9.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -73.34 162.75 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.4 mmm -124.27 -57.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -105.98 162.04 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -136.04 124.3 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -74.16 122.94 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 30' ' ' VAL . 14.4 mmp_? -145.44 119.73 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -45.25 143.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 28' ' ' ARG . 61.0 t -141.42 145.21 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -149.12 140.98 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 39.9 t80 -125.63 145.06 50.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -125.59 -41.07 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 153.96 -31.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.0 mt -87.25 -48.69 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.559 ' OG ' HD11 ' A' ' 51' ' ' ILE . 66.0 p -154.78 175.17 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.46 114.57 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.6 m -98.87 119.02 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 44.4 p90 -124.09 123.13 39.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 38' ' ' SER . 2.1 m-85 -119.86 168.59 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.3 169.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -103.39 -55.46 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -99.38 -43.23 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.21 84.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.86 94.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 mtt -143.62 169.94 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -89.29 40.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.7 m -54.56 117.45 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -89.26 83.91 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 39' ' ' TYR . . . -123.39 105.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.559 HD11 ' OG ' ' A' ' 36' ' ' SER . 11.6 tt -143.68 151.76 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 41.0 mt -126.53 112.76 23.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.77 124.72 11.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 57' ' ' ILE . 3.2 tp -46.1 -39.86 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.7 t -56.3 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -55.29 -47.44 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 54' ' ' LEU . 31.7 mt -52.45 113.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -87.31 -55.86 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -149.88 169.68 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.82 142.44 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -151.07 130.67 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.717 HG11 ' HE ' ' A' ' 87' ' ' ARG . 26.3 m -67.61 130.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -125.68 146.71 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.51 -140.28 37.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.38 133.57 55.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 m120 47.8 42.76 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -147.56 162.32 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 43.7 p90 -150.49 156.35 41.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -110.16 121.4 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.4 t -100.64 93.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.43 135.76 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.3 p -103.5 179.09 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ALA . 1.9 t -39.66 -38.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -134.96 -62.75 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -69.23 177.24 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 97.8 m -139.21 132.33 29.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.29 171.39 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -140.97 144.19 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 40.6 m-85 -140.82 163.57 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -138.6 136.48 36.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.72 177.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -111.65 -18.48 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -133.58 160.35 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.46 -54.76 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.73 -37.93 63.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -44.31 69.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.717 ' HE ' HG11 ' A' ' 62' ' ' VAL . 14.7 ttt180 -52.11 -59.5 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.37 -47.35 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.1 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.646 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.0 m95 -51.12 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.674 HD11 HG12 ' A' ' 62' ' ' VAL . 68.3 mt -47.16 -58.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -45.21 -49.66 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 77.7 mt -55.77 -51.7 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.41 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 98' ' ' LEU . 73.5 mt -54.45 -48.18 72.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -51.46 -44.03 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.85 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 95' ' ' LEU . 20.3 mt -50.67 -40.14 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -63.42 -44.38 94.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -62.12 -59.55 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.542 ' OE1' HD21 ' A' ' 54' ' ' LEU . 10.6 pt20 -52.76 -44.6 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 7.4 t -36.66 -42.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.86 127.61 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.7 p 45.76 43.54 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.6 p -91.41 168.83 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -128.95 94.78 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 t -118.36 96.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -172.03 178.3 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.28 41.97 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.4 t 50.66 43.27 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 156.65 89.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 117.16 4.92 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.63 2.22 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -84.16 117.9 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.7 m -139.01 150.35 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -144.79 145.27 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -91.55 168.68 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.98 99.93 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -121.01 163.94 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -111.6 137.26 49.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.79 129.95 6.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -103.81 12.59 34.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.34 162.73 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 13.2 tttm -161.91 149.63 14.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -154.68 128.07 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.53 168.98 39.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CH2' ' ND2' ' A' ' 42' ' ' ASN . 97.6 m95 -76.29 107.17 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.5 mt -108.34 160.53 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.33 123.11 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -104.71 158.98 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 25' ' ' PHE . 21.2 tp -100.34 78.27 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.535 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.1 t -60.1 -58.43 19.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.7 Cg_endo -69.78 141.68 45.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.7 141.36 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.17 60.75 2.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -156.28 136.58 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -77.21 76.93 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -167.58 131.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 2.8 m-85 -125.92 147.35 49.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -85.15 148.99 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -108.32 102.28 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -130.05 150.14 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -73.42 132.5 43.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 39' ' ' TYR . 79.7 t -122.35 151.26 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -150.63 140.04 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 93' ' ' ILE . 19.7 t80 -118.91 125.15 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.29 1.58 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 99.14 -20.54 49.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.22 -41.36 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 p -153.08 163.34 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD11 HD21 ' A' ' 94' ' ' LEU . 51.0 mt -105.96 99.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -96.34 126.12 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.571 ' HB3' HG22 ' A' ' 30' ' ' VAL . 52.1 p90 -121.29 130.74 53.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 6.1 m-85 -118.06 -178.19 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -116.07 111.91 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' ND2' ' CH2' ' A' ' 13' ' ' TRP . 6.2 m-20 -54.75 106.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -173.83 159.45 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -78.97 68.96 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -157.32 153.31 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 mtp -98.83 92.48 5.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -146.02 116.52 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.6 p -123.52 101.66 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -155.67 107.23 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.13 90.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.5 tt -146.11 142.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -112.53 114.56 50.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 52.9 Cg_endo -69.79 125.96 12.74 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -47.4 -32.71 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -60.34 -37.02 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -61.04 -43.53 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.47 111.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -92.52 -31.07 15.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -170.13 151.5 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.415 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 39.9 t -123.01 142.41 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -142.01 142.99 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.43 149.69 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -107.11 148.44 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.2 13.11 16.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASN . 7.6 m-20 -132.57 64.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 35.88 37.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -140.43 176.22 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 12.8 p90 -150.98 143.21 24.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.28 134.01 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.34 107.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.8 124.8 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.0 p -133.13 163.86 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -56.6 -60.75 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -46.97 -66.79 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -167.09 150.53 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 98.6 m -61.04 134.73 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -113.53 169.46 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.3 t -145.88 113.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 61.1 m-85 -106.42 172.19 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -142.47 149.67 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.2 m -122.62 173.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.06 -35.44 10.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -118.81 149.14 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.92 -46.57 90.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.461 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 68.8 mm-40 -51.54 -43.79 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.85 -43.87 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.12 -53.62 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.1 p30 -65.23 -45.22 85.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 14.8 t70 -52.99 -59.01 5.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.516 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 54.0 m95 -46.73 -65.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 94' ' ' LEU . 77.1 mt -48.91 -61.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -38.48 -42.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 80.0 mt -66.43 -39.5 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 37' ' ' ILE . 42.0 mt -67.09 -54.45 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.07 -43.96 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -59.43 -41.65 90.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.49 73.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.69 -44.61 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -47.55 -26.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -73.9 -51.61 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.04 -3.24 24.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -92.01 93.57 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 104' ' ' THR . 33.5 mt -138.38 169.8 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 104' ' ' THR . 12.0 t 32.16 41.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -99.57 172.9 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.7 56.8 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -168.68 162.0 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -105.92 91.98 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.71 89.76 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 m -65.09 122.88 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -106.17 145.69 15.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.57 65.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 p -72.76 103.17 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 m -116.7 -48.67 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.517 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -83.57 94.87 8.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -105.87 113.47 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.57 130.88 10.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -138.41 111.85 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -93.66 171.08 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.87 64.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -90.41 5.87 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.98 171.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 16.4 tttm -171.54 147.34 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p -150.28 145.46 26.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.61 161.35 24.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -65.34 118.58 9.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 30' ' ' VAL . 73.2 mt -123.31 132.45 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.57 99.86 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -89.11 145.45 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.7 tt -104.37 72.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.505 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -71.18 -59.25 3.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 18' ' ' SER . 54.0 Cg_endo -69.74 160.68 48.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -126.9 154.52 44.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.89 -68.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.528 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -82.5 169.74 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' MET . 16.0 mmt85 -85.8 -43.21 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.3 mtt -35.33 127.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CE2' HD12 ' A' ' 17' ' ' LEU . 39.1 m-85 -93.09 176.25 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -117.56 120.13 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -81.72 118.05 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -144.56 133.9 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -62.17 140.26 58.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HB ' HD12 ' A' ' 14' ' ' LEU . 36.2 t -134.61 136.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -140.86 152.39 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.457 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 44.2 t80 -128.27 147.69 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.49 -43.04 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 152.19 -21.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 9.6 mt -106.5 -41.71 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 51' ' ' ILE . 2.2 m -154.36 167.67 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mt -106.02 116.0 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -95.86 113.08 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -117.21 125.49 51.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -114.3 168.88 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ASN . 4.0 m-80 -82.49 129.48 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASN . 2.1 p30 -34.8 -39.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -90.96 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.23 93.65 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -107.45 -56.93 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.1 mmt -45.51 -40.81 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -131.19 117.6 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.6 p -174.13 157.33 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -119.59 167.1 12.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.48 105.13 2.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 36' ' ' SER . 13.9 tt -145.18 143.83 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -110.89 113.02 55.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.727 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.79 125.72 12.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 20.0 tp -45.35 -31.92 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 p -62.07 -42.04 98.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -53.43 -45.39 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -55.55 98.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -80.68 -47.28 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -157.33 148.26 21.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.46 HG11 HG12 ' A' ' 91' ' ' ILE . 59.5 t -119.58 137.69 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.2 ptm85 -146.29 147.14 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -78.96 140.45 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.3 142.34 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.88 -154.13 43.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 66' ' ' ASN . 2.3 m-20 -105.14 130.19 53.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 47.47 37.61 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -142.86 163.6 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.2 p90 -151.16 156.83 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 4.6 tt0 -105.16 118.25 36.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.493 HG12 HG23 ' A' ' 72' ' ' THR . 72.9 t -99.35 94.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.76 111.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.493 HG23 HG12 ' A' ' 70' ' ' VAL . 55.0 p -115.6 164.86 13.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 m -68.48 -44.79 74.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.86 -56.96 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.2 ptp180 -174.94 121.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' ARG . 28.3 m -34.91 141.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -121.52 135.72 55.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.92 127.17 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 35.9 m-85 -126.55 153.26 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -129.26 135.29 48.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -99.01 175.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -100.26 -31.87 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -131.39 145.34 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.9 tp10 -50.46 -57.52 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -37.84 -50.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' ARG . 52.9 mt-10 -53.51 -49.9 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' NH2' ' OE1' ' A' ' 84' ' ' GLU . 7.8 ttm180 -38.0 -54.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -66.86 -41.33 87.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -52.01 -64.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.502 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 77.8 m95 -45.98 -62.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.46 HG12 HG11 ' A' ' 60' ' ' VAL . 97.3 mt -47.91 -46.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 t -58.4 -48.76 79.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 90.2 mt -55.28 -44.56 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.52 -52.5 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.46 -49.83 69.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -52.28 -37.73 56.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.53 -53.79 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.76 -25.79 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -72.79 -30.02 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t -82.4 -44.72 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -79.78 -12.04 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -154.92 127.76 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.74 169.27 8.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.9 t -151.28 139.44 20.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 t -86.28 77.51 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -138.72 148.18 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -53.81 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.4 154.67 40.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.32 140.51 29.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.418 ' C ' ' HD3' ' A' ' 112' ' ' PRO . 69.4 p -63.7 126.4 27.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.82 66.51 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.418 ' HD3' ' C ' ' A' ' 110' ' ' SER . 53.6 Cg_endo -69.69 141.67 46.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -113.22 111.93 22.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -150.46 116.43 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -50.81 -53.84 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -99.4 114.65 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.17 165.71 12.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 p -98.85 109.18 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -123.44 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.8 130.58 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.446 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -120.6 5.46 10.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.79 163.52 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 27.8 tttp -168.16 140.67 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 p -141.58 121.34 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 163.99 34.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -78.96 99.05 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 80' ' ' ARG . 14.3 mt -105.83 165.89 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD2' ' CD ' ' A' ' 80' ' ' ARG . 33.0 m-20 -98.88 144.12 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 91.98 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.8 tt -70.02 70.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.502 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.2 t -75.12 -59.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.659 0.742 . . . . 0.0 110.827 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.7 Cg_endo -69.76 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -165.16 152.72 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.9 -123.6 6.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -71.72 -32.18 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.902 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 21.7 mtt180 -132.97 90.51 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ptp -101.04 -49.17 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.78 118.48 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -118.91 175.29 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -123.09 120.55 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -145.57 132.28 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 42.0 t-105 -61.62 142.33 57.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.6 t -127.83 150.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -156.67 127.21 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 20.0 t80 -105.65 138.56 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -120.08 -0.76 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 104.76 -35.58 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 35' ' ' LEU . 6.4 mp -84.47 -55.06 4.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.779 ' OG ' HD11 ' A' ' 51' ' ' ILE . 82.8 p -147.31 175.61 10.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.37 114.42 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -109.17 122.85 48.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -122.73 141.05 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CZ ' ' CD1' ' A' ' 29' ' ' TRP . 1.9 p90 -141.61 173.67 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -88.79 166.14 14.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -77.25 -13.52 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 7.9 tp10 -93.56 -53.59 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 16.8 ptpt 44.92 32.82 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -82.33 12.54 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.5 tpp -161.22 147.53 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -39.67 134.84 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.7 p -141.81 160.35 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -148.79 153.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.59 108.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.779 HD11 ' OG ' ' A' ' 36' ' ' SER . 18.9 tt -150.49 147.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.1 mt -118.14 113.37 37.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.0 Cg_endo -69.71 132.13 22.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.76 -41.18 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.4 t -52.5 -48.67 65.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -49.54 -49.54 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.433 HG23 HG13 ' A' ' 70' ' ' VAL . 73.6 mt -53.15 115.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 -55.72 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -155.29 144.01 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.73 139.26 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -132.15 161.06 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.37 135.99 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 64' ' ' GLY . 24.3 mt-30 -100.08 167.47 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -35.07 -89.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.86 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -73.5 66.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -144.43 172.18 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 34.7 p90 -153.34 160.14 42.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.597 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -118.74 142.0 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 57' ' ' ILE . 58.2 t -114.28 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.94 133.11 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 p -139.31 171.13 14.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.3 m -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.73 -64.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.6 ptp180 -166.52 137.05 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.7 m -53.94 135.89 41.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 49.7 m-85 -113.67 162.8 15.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG22 ' CD ' ' A' ' 69' ' ' GLU . 22.9 t -127.35 127.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 64.9 m-85 -134.98 133.58 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.662 ' O ' HD22 ' A' ' 14' ' ' LEU . 7.4 ptm180 -109.26 165.98 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 90' ' ' TRP . 9.3 m -116.04 175.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -102.22 -19.17 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -146.06 164.15 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.43 -38.78 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 87' ' ' ARG . 16.5 mt-10 -56.98 -57.21 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.532 ' HA ' HG11 ' A' ' 81' ' ' VAL . 46.7 ttp180 -35.32 -60.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.78 -39.31 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 90' ' ' TRP . 0.8 OUTLIER -64.99 -72.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.542 ' CD1' HG12 ' A' ' 81' ' ' VAL . 58.2 m95 -35.96 -42.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -74.06 -45.27 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' ASP . 22.7 m -59.88 -32.81 71.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.69 -57.01 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.23 -55.41 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -49.44 -53.4 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.09 -36.35 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.58 -15.11 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.24 -43.84 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -35.91 80.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -58.23 -40.68 82.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -47.84 -46.67 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 t -48.43 -54.96 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.55 155.94 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -46.43 144.18 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -172.47 163.45 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.51 41.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -111.97 138.92 47.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -95.22 86.35 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.2 163.13 28.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.5 p -143.75 145.41 32.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.37 146.2 9.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 177.48 5.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -127.02 169.12 13.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.0 t 66.29 42.92 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -150.72 138.67 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.9 p -131.57 94.0 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.95 154.93 9.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 p -159.14 109.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 113.64 2.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -117.15 7.2 12.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 m -142.5 167.58 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HB2' HD13 ' A' ' 93' ' ' ILE . 29.9 tttp -162.32 138.66 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.8 p -143.66 117.71 9.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.17 -159.75 9.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.8 107.49 18.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' HG12 ' A' ' 81' ' ' VAL . 52.0 mt -117.11 138.61 51.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.34 121.21 29.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 18' ' ' SER . 22.3 tptm -87.19 115.65 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 6.9 tt -61.07 75.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.611 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -85.76 -68.46 0.15 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.7 0.762 . . . . 0.0 110.871 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.8 Cg_endo -69.81 -169.51 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -124.22 104.94 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.47 169.72 32.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -94.55 68.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' PHE . 47.0 mtt180 -155.64 174.84 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' PHE . 5.0 mpp? -51.8 86.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.524 ' CG ' ' HA ' ' A' ' 17' ' ' LEU . 10.2 m-85 -35.92 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -164.9 111.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -74.34 119.07 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -150.2 134.24 16.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -62.32 127.94 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 39' ' ' TYR . 99.0 t -121.03 147.97 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -142.43 150.66 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 21.7 t80 -136.32 121.8 19.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -114.63 11.16 16.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 97.87 -44.76 1.78 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.52 -55.52 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.513 ' HB3' HD11 ' A' ' 51' ' ' ILE . 11.1 t -153.42 172.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.53 103.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.466 ' CA ' HG13 ' A' ' 51' ' ' ILE . 1.5 t -105.28 130.34 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.615 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.5 p90 -117.25 134.21 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -127.96 174.41 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -110.87 137.82 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -50.67 -62.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' LYS . 45.5 mt-10 -49.85 146.59 4.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLU . 42.4 tttt -34.78 146.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -147.51 156.99 43.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.567 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 3.6 mpp? -132.85 127.18 33.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 46' ' ' MET . 17.1 p90 37.82 50.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -65.21 156.97 30.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -134.68 158.92 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 130.56 88.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 36' ' ' SER . 3.9 tt -144.13 151.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mt -124.16 113.37 28.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.35 10.99 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 57' ' ' ILE . 5.7 tp -40.79 -42.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 p -48.3 -50.3 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.8 59.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 54' ' ' LEU . 76.2 mt -50.73 105.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -84.28 -44.1 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -169.93 155.7 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.785 HG11 HG12 ' A' ' 91' ' ' ILE . 46.9 t -113.71 135.98 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -140.73 123.66 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -55.27 139.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' GLY . 20.1 tt0 -139.6 163.98 31.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 35.88 -154.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.2 136.34 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 39.17 38.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -136.52 164.76 27.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 16.4 p90 -146.91 146.97 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 8.0 tt0 -105.27 116.32 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -92.95 100.3 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -66.87 131.5 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.6 p -138.99 156.54 47.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 m -60.08 -53.51 56.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -55.63 -62.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 13.1 ptm180 -170.01 125.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.425 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 32.7 m -43.41 134.57 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 50.7 m-85 -118.5 142.28 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 t -111.93 140.6 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 13.4 m-85 -131.03 137.45 49.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.61 135.88 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG12 ' CD2' ' A' ' 14' ' ' LEU . 27.2 m -112.06 161.01 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -79.0 -18.18 54.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -143.63 145.68 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 16.9 pt-20 -53.84 -53.65 49.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 10.3 mt-10 -36.23 -45.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.09 -43.47 98.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.2 tmm_? -54.68 -45.3 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -72.81 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.6 m-20 -58.86 -65.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.504 ' HA ' HD12 ' A' ' 93' ' ' ILE . 69.4 m95 -39.14 -52.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.785 HG12 HG11 ' A' ' 60' ' ' VAL . 87.5 mt -52.56 -63.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.3 t -45.77 -41.03 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 90' ' ' TRP . 38.4 mt -64.37 -58.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.4 mt -50.28 -51.75 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.87 -52.97 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -46.91 -40.67 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.2 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.626 HD23 HE21 ' A' ' 101' ' ' GLN . 61.8 mt -58.55 -43.64 89.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -46.96 -38.27 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -59.11 -49.21 78.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.626 HE21 HD23 ' A' ' 98' ' ' LEU . 38.1 mt-30 -44.93 -29.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.996 ' C ' HD23 ' A' ' 103' ' ' LEU . 14.5 m -77.35 175.17 10.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.996 HD23 ' C ' ' A' ' 102' ' ' SER . 1.3 pt? 37.54 49.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.1 t -85.33 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.6 p -53.0 -34.83 58.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -80.5 169.26 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 m -54.87 127.06 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.21 176.22 9.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.96 113.84 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -140.16 176.09 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -163.65 85.3 0.11 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 175.81 7.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -154.82 179.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t 65.57 46.99 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 49.59 42.3 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.889 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -95.19 92.75 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.49 111.89 1.03 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -51.61 105.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -149.44 110.56 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.53 108.73 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -85.35 5.5 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.57 167.78 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HE2' ' CD1' ' A' ' 90' ' ' TRP . 30.0 tttp -164.85 139.3 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.2 p -151.52 119.96 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.97 168.51 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -71.39 110.01 5.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.8 mt -112.91 164.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -108.04 113.2 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.7 tptm -85.22 97.75 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 7.3 tt -62.67 74.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -74.08 -61.44 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 54.4 Cg_endo -69.79 -179.08 2.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.367 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -125.05 105.83 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.16 71.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 15.7 tttp -165.31 115.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' LYS . 15.5 ttm180 -36.24 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' PHE . 1.3 ptt? -96.33 74.44 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.635 ' CZ ' HD12 ' A' ' 17' ' ' LEU . 2.2 m-85 -35.6 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.738 ' NE2' HH12 ' A' ' 28' ' ' ARG . 6.1 tt0 -162.69 178.53 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.97 134.02 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.738 HH12 ' NE2' ' A' ' 26' ' ' GLN . 46.4 mtm-85 -161.59 131.37 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -63.96 135.41 56.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.1 144.56 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 82.6 tttt -146.97 157.61 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 25.8 t80 -132.12 141.89 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.37 -43.69 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 -9.48 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -120.12 -40.0 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -153.46 159.86 42.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 mt -98.38 117.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.746 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.8 p -105.68 117.2 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -122.4 131.26 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -124.7 156.44 37.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -92.14 170.18 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' C ' ' OD1' ' A' ' 42' ' ' ASN . 2.2 t30 -76.74 -47.27 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -51.92 140.1 20.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -39.61 143.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.97 111.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ttp -117.11 67.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 1.8 m-85 43.9 36.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 p -125.93 88.3 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -100.31 163.64 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.25 123.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 38' ' ' SER . 2.4 tp -143.43 132.6 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -106.42 113.23 63.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.8 Cg_endo -69.73 123.49 10.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 97' ' ' ALA . 10.0 tp -45.69 -29.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -62.35 -44.27 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -55.31 -42.32 73.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.22 117.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -98.36 -48.41 5.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 t -162.0 155.73 21.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.78 148.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -147.15 145.32 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -81.55 140.84 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -133.61 162.66 31.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.17 -122.31 17.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.37 -46.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.91 33.69 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -129.93 167.03 18.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 3.6 p90 -150.61 161.66 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -119.49 132.52 55.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.76 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.11 116.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -117.06 149.59 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 73' ' ' THR . 7.7 m -60.56 -12.09 8.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -99.35 -70.3 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 44.4 mtt-85 -152.77 120.87 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.0 m -52.86 135.85 35.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' ARG . 13.0 m-85 -124.93 146.58 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.93 121.27 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 17.6 m-85 -114.84 132.34 56.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -112.94 142.44 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 87' ' ' ARG . 1.1 m -106.17 167.91 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.29 -18.87 23.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -146.04 131.62 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -40.61 -55.79 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 22.4 tt0 -38.02 -50.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -52.57 -49.3 65.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' HB2' HG21 ' A' ' 81' ' ' VAL . 28.6 ttp180 -42.91 -60.22 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 2.6 t70 -61.93 -63.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.549 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 75.3 m95 -46.11 -53.04 11.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 52.4 mt -57.51 -49.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -54.83 -39.78 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 10' ' ' LYS . 41.7 mt -68.83 -46.76 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.45 -52.9 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' A' ' 98' ' ' LEU . 33.4 mt -59.02 -34.29 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -75.49 -16.93 60.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' O ' HD21 ' A' ' 54' ' ' LEU . . . -90.58 -21.49 21.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 95' ' ' LEU . 15.4 mt -82.62 -19.14 38.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -84.43 -28.92 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -74.48 -31.52 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -89.04 -10.15 48.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.4 t -71.91 -18.19 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.62 131.5 40.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.9 m -43.38 119.57 1.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -123.13 158.62 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 91.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.7 p -165.1 142.75 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -64.9 143.33 58.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -160.54 137.06 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.1 p -124.64 148.96 47.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.48 83.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 1.78 4.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.2 p -124.73 142.22 51.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -87.01 -47.36 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -68.12 92.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -157.67 119.37 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 -167.62 15.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -107.32 -43.94 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -78.3 144.04 36.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.13 48.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -112.23 12.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.01 170.3 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 93' ' ' ILE . 20.4 tttt -173.6 143.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -150.28 133.65 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.57 149.6 14.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CE3' ' HD3' ' A' ' 27' ' ' LYS . 73.6 m95 -63.11 105.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 90' ' ' TRP . 27.5 mt -121.72 162.3 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.37 120.43 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HE3' ' CZ ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -101.0 125.35 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -95.57 118.62 32.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.434 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.8 t 70.82 54.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 18' ' ' SER . 54.0 Cg_endo -69.75 -11.51 30.99 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.07 -59.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.32 -47.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 22' ' ' LYS . 8.7 tmtm? -170.34 118.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -174.88 157.26 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 ttp -60.4 171.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -46.51 100.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.15 102.26 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -46.3 129.93 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -159.22 133.06 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' C ' ' CD1' ' A' ' 29' ' ' TRP . 4.7 t-105 -69.01 129.43 39.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG13 ' CG2' ' A' ' 37' ' ' ILE . 92.5 t -111.38 138.17 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 32' ' ' PHE . 15.5 tttt -131.81 144.39 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.432 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 31.4 t80 -129.7 126.37 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.76 28.99 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 83.62 -48.62 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 mt -70.64 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -141.03 171.02 14.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.516 ' CG2' HG13 ' A' ' 30' ' ' VAL . 19.2 mt -103.13 108.35 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.791 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.0 t -101.16 114.82 29.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -108.15 138.17 44.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -126.13 178.64 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 46' ' ' MET . 23.5 p30 -118.84 174.87 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -48.5 176.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.58 89.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -164.95 174.11 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.14 41.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.428 ' HB2' ' ND2' ' A' ' 41' ' ' ASN . 5.3 mtp -62.94 -56.56 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -157.2 133.61 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p -104.6 44.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.67 149.35 33.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.61 88.47 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 38' ' ' SER . 3.1 tp -141.98 139.45 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.69 112.07 48.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.5 Cg_endo -69.79 127.15 14.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.9 tp -46.72 -39.89 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -52.75 -47.7 67.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 72' ' ' THR . . . -49.29 -50.7 38.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt -47.7 91.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 53.0 m -76.48 -43.29 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.1 t -166.73 150.08 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.0 t -121.0 141.59 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -148.29 136.77 21.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 m -69.93 133.81 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -142.56 135.25 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.22 -154.97 51.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.54 130.35 49.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m120 45.67 42.24 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -146.79 161.88 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 15.4 p90 -144.03 173.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.57 ' OE2' HG21 ' A' ' 76' ' ' THR . 24.8 tt0 -121.78 130.97 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.3 t -115.4 102.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -75.91 130.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.481 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 65.7 p -138.46 165.87 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 m -59.86 -60.27 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -50.05 -63.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.1 137.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.57 HG21 ' OE2' ' A' ' 69' ' ' GLU . 31.7 m -57.01 141.49 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -120.73 166.61 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.6 t -131.42 117.97 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 39.8 m-85 -105.31 150.41 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -128.37 126.88 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -97.78 172.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.15 -21.64 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -143.76 158.61 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.75 -54.6 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -39.61 -54.03 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -49.92 -40.11 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -53.99 -55.76 24.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -65.14 -43.6 91.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.15 -60.91 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.511 ' CE2' HD11 ' A' ' 14' ' ' LEU . 67.7 m95 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' PHE . 82.8 mt -50.21 -46.57 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -58.2 8.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 10' ' ' LYS . 81.9 mt -45.22 -50.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 37' ' ' ILE . 28.0 mt -55.53 -61.23 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 92.0 mt -49.74 -50.25 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -54.2 -44.11 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.41 75.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.51 -42.36 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -54.73 -45.97 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -52.41 -51.97 56.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -72.52 -24.5 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -113.58 90.23 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 103' ' ' LEU . 1.2 pp -174.81 133.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.8 t -78.77 140.26 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 p -67.8 144.02 55.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -129.85 126.19 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.6 p -40.86 111.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -171.86 177.01 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.15 105.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t -55.56 101.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.74 125.97 31.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.88 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 p -173.6 126.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' GLY . 47.6 t -88.64 -50.2 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -153.38 153.53 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -150.69 166.47 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.36 81.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -68.62 -58.66 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -90.86 98.52 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.3 91.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HG2' HG13 ' A' ' 9' ' ' VAL . 3.7 pttm -125.22 -4.04 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG13 ' HG2' ' A' ' 8' ' ' LYS . 28.8 m -132.63 166.42 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 34.5 tttp -173.3 142.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.5 p -149.08 131.27 15.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.7 -177.68 40.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 14.3 m95 -78.0 96.81 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -103.25 123.55 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 127.05 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -104.56 152.58 22.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.1 tt -79.24 104.46 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.561 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -79.7 -66.19 0.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.692 0.758 . . . . 0.0 110.848 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.5 Cg_endo -69.77 137.74 36.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -36.71 -66.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.85 162.78 49.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -77.42 92.83 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -130.3 -55.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 mtp -128.31 151.27 49.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -115.41 146.06 41.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -112.64 126.21 55.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 10.3 tppt? -74.15 145.48 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.87 137.57 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.6 t-105 -79.33 106.11 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 13.2 t -109.96 140.57 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -143.01 132.27 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -104.48 121.2 42.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -99.12 -8.43 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.81 -36.79 3.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.03 -51.92 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.9 m -151.49 170.38 19.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 21.7 mt -102.44 113.6 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -107.56 131.2 54.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 1.5 p90 -114.19 167.28 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 2.1 m-85 -158.7 143.59 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -79.5 51.15 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 t30 43.83 37.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -156.27 139.69 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -79.48 86.24 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -123.34 143.83 49.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.2 mtt -78.73 -61.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -53.67 -176.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m 55.11 35.86 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -60.12 131.45 50.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.546 ' C ' ' CZ ' ' A' ' 39' ' ' TYR . . . -152.97 113.97 0.6 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.36 142.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.3 mt -105.71 113.2 64.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.717 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.14 44.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.21 -37.37 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 p -54.96 -46.73 75.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -43.37 62.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 HD11 ' A' ' 98' ' ' LEU . 66.9 mt -58.84 106.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -91.16 -35.07 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -168.29 146.62 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.56 139.92 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.64 169.51 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.97 150.41 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' GLY . 3.5 tp-100 -133.43 144.33 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 36.39 -134.88 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.55 124.74 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.6 35.25 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -142.2 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CZ ' ' CB ' ' A' ' 79' ' ' PHE . 25.4 p90 -150.69 153.94 36.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.72 136.63 52.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 HG23 ' A' ' 72' ' ' THR . 87.6 t -107.11 113.12 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.171 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.22 109.02 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.43 HG23 HG12 ' A' ' 70' ' ' VAL . 44.0 p -118.43 156.62 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -54.3 -61.43 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -46.15 -60.46 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -173.24 135.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -56.11 134.37 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -110.82 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.6 139.54 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 24.8 m-85 -140.31 141.72 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -118.91 147.43 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 m -115.1 175.96 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -103.06 -38.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -116.64 142.91 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -50.45 -50.1 53.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' ARG . 23.6 mt-10 -50.19 -53.88 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' GLU . 11.6 ttm180 -36.24 -69.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -51.25 -51.69 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -46.44 -63.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.486 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 82.9 m95 -48.0 -59.54 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 54.1 mt -49.62 -66.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -42.95 -53.44 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.67 -57.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -50.5 -56.66 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.3 mt -51.29 -50.07 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -54.1 -43.2 70.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.35 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 57' ' ' ILE . 80.2 mt -71.2 -53.43 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -61.48 -31.18 71.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -60.49 -45.59 93.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -42.38 -36.56 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -103.79 99.52 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.55 175.49 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -121.2 26.79 8.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.5 m -140.26 173.52 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -89.36 120.0 30.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 m -74.3 125.11 27.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 109' ' ' ALA . 12.5 tt0 -103.17 141.52 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 108' ' ' GLN . . . -34.09 136.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.5 t -148.58 164.59 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -154.12 82.84 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.91 67.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.0 t -146.9 178.8 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.0 t -172.51 161.25 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -137.21 114.16 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -56.51 153.37 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.13 116.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m -102.09 90.47 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -117.08 106.3 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.49 62.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -88.11 17.06 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.52 154.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 22.5 tttm -157.64 135.56 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -148.63 141.68 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.15 -159.79 21.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -108.13 97.85 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 16.2 mt -111.41 156.63 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.98 150.09 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.17 131.89 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 30.5 tp -98.8 77.85 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.492 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -68.23 -60.29 5.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.3 Cg_endo -69.77 151.07 68.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -113.5 151.76 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.63 -62.59 4.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -73.99 107.81 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -55.55 94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.6 ttm -162.77 130.5 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 17' ' ' LEU . 32.8 m-85 -111.03 -178.78 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -139.79 130.38 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -80.01 103.79 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' CD ' ' HB3' ' A' ' 41' ' ' ASN . 15.1 mmt85 -124.63 125.35 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -66.49 123.6 20.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG1' ' CG2' ' A' ' 37' ' ' ILE . 26.3 t -115.36 150.82 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -151.86 126.47 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 21.0 t80 -100.44 133.61 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -112.88 9.09 18.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 93.47 -23.96 27.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.54 -48.47 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.4 m -151.22 164.76 35.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.531 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 48.0 mt -94.1 104.01 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -93.2 110.15 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -120.03 139.6 52.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -132.82 -175.27 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 1.2 p-10 -136.44 137.81 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -87.0 45.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -146.38 175.11 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -53.51 152.78 4.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -43.92 136.22 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mmm -140.73 174.4 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -86.6 116.26 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 p -165.95 165.86 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -62.19 -62.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.74 -56.97 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.9 tt -150.34 137.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 mt -102.6 114.59 65.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.9 Cg_endo -69.74 137.24 35.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.324 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tp -55.48 -35.08 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.2 p -58.41 -41.84 85.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -52.55 -46.22 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.49 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 t -74.43 -42.63 58.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -162.79 136.7 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -111.93 142.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 3.6 ptm85 -149.07 157.45 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.419 HG12 ' CD1' ' A' ' 91' ' ' ILE . 23.1 m -83.35 147.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . 84.5 mt-30 -110.98 147.51 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.71 -71.99 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.96 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -76.02 52.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -145.15 172.28 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 18.9 p90 -133.9 156.87 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.92 132.63 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.8 t -118.44 97.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.94 121.75 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 75.6 p -115.42 -178.77 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.58 -26.02 32.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.7 -66.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 6.2 ptm180 -154.6 123.26 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.8 m -44.5 137.3 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.45 147.46 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.01 107.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 56.0 m-85 -103.47 144.23 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -117.29 146.42 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.7 m -109.99 175.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -99.96 -21.84 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -137.68 144.4 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -49.74 -41.07 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.09 -58.82 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.76 -38.35 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -49.48 -59.25 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.58 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.95 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.784 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 62.6 m95 -39.51 -62.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 92' ' ' SER . 75.6 mt -43.97 -67.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' ILE . 23.4 m -35.58 -58.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.87 -51.78 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.92 -52.53 65.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.2 mt -52.25 -44.09 64.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 18.0 t-20 -66.18 -38.0 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -28.04 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.8 mt -72.68 -45.64 57.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 ptpp? -69.61 -37.33 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 m -50.76 -43.19 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -45.3 -48.41 13.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -56.84 -52.14 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' SER . 36.2 mt -57.3 135.73 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' SER . 5.7 t 37.67 29.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' LEU . 56.7 p -34.74 133.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -155.77 176.3 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.2 p -130.42 114.32 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -142.85 143.98 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.513 ' N ' ' CD ' ' A' ' 108' ' ' GLN . . . -129.61 120.01 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -100.03 152.16 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.43 ' HA2' ' HD2' ' A' ' 112' ' ' PRO . . . -93.28 106.68 3.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.43 ' HD2' ' HA2' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.77 178.54 4.47 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.0 p -137.82 149.34 46.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.7 p -122.87 27.38 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -143.9 171.06 14.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 113.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 m -127.43 123.92 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -93.45 105.83 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.6 134.82 5.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -101.12 6.12 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 m -134.42 177.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 23.3 tttp -163.32 138.1 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -147.6 120.23 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 29' ' ' TRP . . . -171.03 164.27 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 91.1 m95 -63.71 110.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.4 mt -109.22 127.71 54.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.43 115.14 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -111.27 145.79 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -87.01 71.58 10.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.497 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -63.3 -60.34 9.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.5 Cg_endo -69.76 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -95.81 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.95 75.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -115.24 -58.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -99.63 -68.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 tpt -167.2 154.8 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -47.38 161.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' OE1' ' NH2' ' A' ' 28' ' ' ARG . 26.0 mt-30 -92.77 165.77 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 29.7 tttm -111.13 85.99 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 28.7 mmt85 -110.3 147.05 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.1 t-105 -81.79 141.91 33.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.8 t -132.79 147.58 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 31' ' ' LYS . 8.0 tmtt? -149.75 144.47 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -126.77 134.53 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.98 -30.93 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.26 4.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.2 mt -111.34 -45.53 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' HD11 ' A' ' 51' ' ' ILE . 16.1 p -149.12 163.05 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.68 106.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 p -94.03 120.76 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 46.1 p90 -123.76 126.18 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -139.46 -175.19 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -100.51 105.4 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.13 -31.65 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.04 -70.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -86.14 86.68 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.56 44.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.5 mmt -84.2 176.57 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.4 p90 -61.16 127.93 33.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -173.23 159.54 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -114.35 144.07 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 39' ' ' TYR . . . 174.25 66.81 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.51 HD11 ' OG ' ' A' ' 36' ' ' SER . 4.6 tt -129.06 133.79 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mt -109.37 116.91 54.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.8 Cg_endo -69.82 131.14 20.53 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HG ' ' NE2' ' A' ' 101' ' ' GLN . 12.5 tp -48.19 -31.38 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -64.12 -42.54 96.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.554 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -56.23 -46.0 79.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 85.2 mt -54.05 92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 m -67.59 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 t -170.7 155.95 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -124.25 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -150.84 138.21 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -60.28 133.26 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.9 119.97 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.89 -167.52 38.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.99 115.67 28.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 55.97 45.08 24.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -143.84 170.72 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 91' ' ' ILE . 31.0 p90 -154.63 145.0 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -105.74 121.42 43.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.59 111.39 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.05 127.99 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.6 p -130.77 172.42 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -63.32 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -44.32 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -165.51 142.13 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 68.9 m -52.58 142.11 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -118.25 161.14 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.89 122.33 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 62.5 m-85 -122.39 137.38 54.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -116.05 157.17 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.21 165.57 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.05 -12.17 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -143.77 143.32 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -56.65 -50.4 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 19.0 mt-10 -47.06 -42.53 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -44.15 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.66 -65.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 1.2 p30 -50.41 -40.84 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.34 -55.91 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 68.6 m95 -51.36 -60.77 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' PHE . 94.4 mt -50.03 -49.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m -51.65 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 57.0 mt -56.5 -53.95 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.18 -54.92 24.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.88 -43.71 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.75 -44.1 81.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.3 90.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.495 HD23 HE21 ' A' ' 101' ' ' GLN . 55.8 mt -54.01 -39.12 65.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -57.56 -20.74 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -78.65 -50.91 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.495 HE21 HD23 ' A' ' 98' ' ' LEU . 33.4 mt-30 -56.69 -17.29 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.3 m -97.33 55.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 40.2 mt -136.3 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 104' ' ' THR . 45.0 m -68.97 87.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -150.75 166.56 30.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -110.67 87.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -100.88 109.12 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -134.2 139.95 46.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.68 -66.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 t 67.07 29.74 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.31 146.93 10.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.37 30.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.3 p -166.11 179.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -91.51 164.53 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -151.31 129.92 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -64.96 153.61 40.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.06 -155.61 0.45 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -173.28 132.15 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -138.81 138.0 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.91 124.85 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 12.85 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.09 168.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.675 ' HB2' HD13 ' A' ' 93' ' ' ILE . 34.7 tptt -161.93 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -157.47 120.87 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.0 169.36 38.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -82.84 91.0 6.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 13.2 mt -102.05 149.19 24.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' A' ' 26' ' ' GLN . 7.1 t0 -88.99 130.72 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 1.5 mmmp? -84.71 143.99 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.4 93.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.8 p -134.33 58.45 30.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.67 7.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -92.78 -40.16 10.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.8 -77.1 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' CG ' ' HG3' ' A' ' 26' ' ' GLN . 9.4 mmtm -60.17 176.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.728 0.299 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -71.4 -54.13 11.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.512 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 15.3 ptm -115.22 -47.17 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' A' ' 24' ' ' MET . 74.1 m-85 -160.17 -179.85 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.487 ' HG3' ' CG ' ' A' ' 22' ' ' LYS . 51.8 mt-30 -124.69 89.31 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -52.15 126.2 17.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -151.94 162.48 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -85.28 144.65 27.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 39' ' ' TYR . 62.1 t -136.2 138.61 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -137.39 129.15 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 33.2 t80 -113.72 126.89 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -115.37 25.71 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.538 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 84.88 -46.56 3.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.42 -59.41 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.425 ' OG ' HD11 ' A' ' 51' ' ' ILE . 32.0 p -150.04 171.08 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -104.47 103.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 118.84 36.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.591 ' CE2' ' HE3' ' A' ' 16' ' ' LYS . 47.7 p90 -113.57 133.26 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.47 169.96 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.53 172.05 10.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -82.14 110.28 17.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.02 157.62 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' GLU . 33.8 tttm -61.29 166.47 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt-20 -37.18 124.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.3 ttm -171.41 151.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -121.93 116.8 25.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 p -135.47 178.01 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -98.86 142.72 30.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.52 67.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.425 HD11 ' OG ' ' A' ' 36' ' ' SER . 16.8 tt -140.88 141.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 63.7 mt -111.96 112.11 53.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.1 tp -37.59 -43.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -46.22 -47.47 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.81 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -52.82 126.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -108.55 -48.8 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -154.51 145.17 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.3 t -116.59 136.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.27 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 m -90.67 138.03 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -151.61 129.55 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.63 -177.02 54.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 66' ' ' ASN . 13.6 t70 -77.11 117.93 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 65' ' ' ASP . 28.5 m-80 49.3 44.64 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -141.77 164.41 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HE1' HG13 ' A' ' 81' ' ' VAL . 5.8 p90 -144.98 157.16 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 15.8 tt0 -108.63 120.87 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -95.78 100.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.09 145.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.9 p -152.14 174.31 13.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -76.2 -44.49 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -64.3 -58.99 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 ptp180 -172.49 131.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 42.1 m -51.15 134.59 26.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 81.8 m-85 -114.08 176.46 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.33 140.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.22 153.51 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -124.92 137.22 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' HE1' ' A' ' 68' ' ' PHE . 29.8 m -103.09 177.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -106.73 -17.25 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -138.52 148.99 44.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.75 -47.49 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.86 -50.46 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -45.91 -54.24 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -41.61 -58.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.63 -50.5 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD2' ' CE ' ' A' ' 10' ' ' LYS . 4.7 t70 -51.68 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 90.8 m95 -40.87 -57.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.1 mt -52.32 -62.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -46.27 -43.81 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' A' ' 10' ' ' LYS . 43.3 mt -59.33 -56.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.6 mt -52.64 -59.29 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.2 mt -51.2 -35.3 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.41 -31.18 60.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.4 69.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.5 mt -51.91 -48.17 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -51.16 -48.52 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.5 t -45.18 -45.8 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -43.4 -44.33 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.0 t -75.34 108.55 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' THR . 95.0 mt -128.72 176.24 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 104' ' ' THR . 14.9 t 34.77 40.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.2 t -105.84 153.12 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -41.68 156.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -50.84 104.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' ALA . 23.3 tt0 -145.04 157.47 44.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' GLN . . . -35.12 125.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 p -158.97 164.23 35.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -142.85 144.31 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -174.39 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.1 p -167.16 159.77 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.5 m -163.34 161.76 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -172.0 155.96 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -98.0 -27.14 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.22 129.16 2.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -126.45 110.4 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 m -128.92 106.95 9.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 107.91 1.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -83.24 8.35 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.75 175.4 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.2 tttm -170.51 140.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.8 p -144.18 128.63 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.13 148.92 13.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -60.06 113.43 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 86.7 mt -118.24 170.02 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 17.3 m-20 -109.4 149.2 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -113.78 105.27 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD22 ' HB ' ' A' ' 78' ' ' VAL . 16.3 tp -46.31 101.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -134.44 58.44 29.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.93 9.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.634 2.223 . . . . 0.0 112.377 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.9 104.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.17 -51.79 4.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -124.18 116.66 23.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -68.97 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 mmm -147.08 165.81 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -107.06 136.32 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -107.94 119.76 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.14 148.58 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -163.61 133.79 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.05 121.81 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 39' ' ' TYR . 84.3 t -115.78 146.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -146.57 142.15 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -128.51 139.58 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.57 -42.53 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.87 -21.75 0.6 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp -97.44 -50.88 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 p -154.0 165.86 34.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.35 118.62 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 m -111.64 120.96 43.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.486 ' HB3' HG22 ' A' ' 30' ' ' VAL . 4.0 p90 -116.65 140.29 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.1 147.9 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.41 112.93 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.71 -53.76 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.82 -49.18 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -44.35 -48.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.49 173.5 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttm -82.16 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.23 127.96 36.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -102.57 158.14 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.02 142.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.31 137.52 4.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.5 149.83 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.101 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -117.6 112.86 38.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.2 Cg_endo -69.75 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 tp -59.04 -33.42 70.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.0 p -63.13 -36.6 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.671 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -57.46 -46.85 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.13 93.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -69.64 -48.99 57.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -162.7 147.28 11.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.616 HG11 HG12 ' A' ' 91' ' ' ILE . 60.5 t -110.84 136.66 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 3.0 ptp180 -146.92 121.75 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.646 HG12 HD11 ' A' ' 91' ' ' ILE . 31.3 m -66.03 153.3 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 64' ' ' GLY . 18.8 tt0 -112.26 163.19 14.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -36.11 -77.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.37 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.576 ' O ' HG22 ' A' ' 81' ' ' VAL . 67.8 m-20 -76.39 50.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -136.48 170.29 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 33.9 p90 -139.0 162.04 35.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HG3' HG22 ' A' ' 78' ' ' VAL . 12.2 tt0 -115.48 120.68 40.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -98.94 101.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.43 118.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.7 p -113.81 174.66 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.1 m -74.94 -27.81 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 35.4 mm-40 -83.82 -75.67 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -145.87 122.26 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.1 m -48.0 127.97 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -109.22 163.79 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.494 ' HB ' HD22 ' A' ' 17' ' ' LEU . 99.4 t -133.23 121.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 31.4 m-85 -109.65 159.14 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.445 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 48.0 ttp85 -129.12 148.1 51.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 66' ' ' ASN . 11.1 m -118.09 173.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.64 -27.34 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -127.14 163.88 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.56 -46.93 71.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -58.95 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -46.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.448 ' HB2' HG21 ' A' ' 81' ' ' VAL . 28.7 ttp180 -58.1 -52.01 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -57.54 -42.17 82.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.43 -58.65 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -46.12 -62.02 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.646 HD11 HG12 ' A' ' 62' ' ' VAL . 87.1 mt -50.29 -58.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -42.44 -46.25 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 76.9 mt -64.12 -44.02 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.76 -58.46 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.87 -33.69 37.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.36 -29.88 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.86 -34.37 60.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.92 -53.26 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -52.8 -35.43 56.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -61.32 -46.53 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -77.93 -27.4 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 m -133.52 102.84 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.17 146.45 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 77.0 p -69.76 130.89 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -63.47 167.88 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -82.44 44.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' GLN . 1.8 t -111.59 176.59 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' SER . 32.5 tt0 -38.29 123.52 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.36 178.23 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 111' ' ' GLY . 7.4 m -117.59 -50.17 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 110' ' ' SER . . . 34.85 79.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.7 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 p -172.84 177.61 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -150.11 129.87 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -153.0 154.04 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -122.82 106.85 11.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.8 -101.08 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p 44.16 42.42 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -113.54 115.68 28.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.59 107.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -74.7 -4.31 36.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.81 170.95 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 26.0 tttp -164.69 141.02 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -152.4 132.63 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 -134.09 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -122.32 99.63 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 53.8 mt -103.78 123.65 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.27 118.36 30.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 35.1 ttpt -122.85 153.38 39.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.824 HD23 ' O ' ' A' ' 24' ' ' MET . 1.8 mt -76.13 129.61 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -75.58 -62.94 0.72 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 53.9 Cg_endo -69.81 -165.92 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -120.81 -49.84 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.56 -49.62 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -61.66 164.93 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.27 29.45 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.824 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 ttt -82.34 116.26 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -86.28 126.85 34.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -101.51 147.4 26.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -99.44 127.69 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -150.74 138.02 19.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -72.19 135.17 46.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 31' ' ' LYS . 21.6 t -124.59 160.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.515 ' N ' HG12 ' A' ' 30' ' ' VAL . 22.8 tttp -158.19 148.38 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.457 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 23.4 t80 -124.88 132.99 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.13 4.29 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 101.47 -37.37 3.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.31 -58.37 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -142.72 155.01 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -88.9 104.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.9 p -94.0 120.45 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -122.39 142.34 50.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -129.04 167.59 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -112.48 154.38 25.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -87.47 -61.35 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -50.98 151.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -50.17 126.94 15.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -151.46 146.63 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' TYR . 31.5 mtt -76.3 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 15.5 p90 -37.6 110.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -138.43 141.6 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -54.3 135.29 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.02 68.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.5 tt -143.02 138.06 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.3 mt -108.34 115.46 58.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.622 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 53.7 Cg_endo -69.78 131.12 20.55 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.585 HD21 ' O ' ' A' ' 97' ' ' ALA . 15.1 tp -47.5 -31.23 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -65.48 -38.83 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -58.46 -40.77 83.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.31 126.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -102.97 -49.59 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 t -163.24 145.79 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.31 139.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -147.79 147.79 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.09 135.88 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -148.18 118.49 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.89 -179.08 51.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.31 120.28 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 52.19 48.56 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -148.09 163.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 11.7 p90 -152.07 151.29 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' A' ' 78' ' ' VAL . 25.7 tt0 -107.94 119.34 39.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.45 94.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.53 ' HA ' HG23 ' A' ' 76' ' ' THR . 31.0 t -73.82 122.0 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -114.38 -175.28 2.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -72.87 124.94 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 49.55 24.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -172.44 165.6 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.53 HG23 ' HA ' ' A' ' 71' ' ' VAL . 97.2 m -146.68 130.51 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -109.76 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' HG3' ' A' ' 69' ' ' GLU . 26.0 t -106.49 117.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 30.2 m-85 -110.5 161.88 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -137.32 140.2 41.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -107.32 176.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -104.44 -34.14 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -120.42 153.5 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.91 -58.43 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -41.58 -51.82 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -48.93 -41.98 35.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -52.18 -61.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 89' ' ' ASP . 2.4 p30 -57.47 -50.35 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -48.66 -55.3 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -52.09 -59.25 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 53.5 mt -52.89 -63.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -40.17 -55.51 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 81.2 mt -50.92 -48.25 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.38 -53.27 59.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 98' ' ' LEU . 86.8 mt -54.84 -35.32 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -70.42 -39.32 74.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.585 ' O ' HD21 ' A' ' 54' ' ' LEU . . . -74.38 -14.88 60.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 95' ' ' LEU . 11.2 mt -89.7 -57.2 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -45.81 -36.67 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -59.99 -37.56 80.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.561 HE21 HD23 ' A' ' 98' ' ' LEU . 9.1 pt20 -92.39 -2.39 56.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -115.02 46.05 1.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.47 161.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.2 m -41.81 -45.24 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.4 p -42.59 137.45 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -46.31 120.05 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.9 p -139.47 112.37 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.85 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.67 148.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -104.37 124.43 49.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -177.23 82.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -115.11 159.28 21.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -90.32 -53.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -154.44 148.23 25.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 110.797 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -143.74 153.68 42.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.16 92.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -81.06 43.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -69.82 124.52 24.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.38 125.17 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -105.19 21.69 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.19 -175.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 25.8 tttp -170.67 137.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -149.18 123.94 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.65 176.06 44.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 92.2 m95 -72.52 111.69 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 61.0 mt -120.28 131.75 55.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.94 108.47 7.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -89.59 156.41 18.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD12 ' HG3' ' A' ' 19' ' ' PRO . 1.8 pt? -66.85 152.08 46.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -134.97 58.79 30.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.533 ' HG3' HD12 ' A' ' 17' ' ' LEU . 54.2 Cg_endo -69.69 171.13 14.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 52.84 39.11 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.62 160.48 34.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -60.84 -48.85 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -46.41 163.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 29.7 mtm -104.38 -46.81 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -152.14 145.16 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 25.0 mt-30 -106.74 129.61 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 32.5 tttm -92.48 94.88 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' NE ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -118.41 153.9 33.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -76.86 129.86 36.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' HB ' HD12 ' A' ' 14' ' ' LEU . 88.6 t -116.97 143.0 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' A' ' 33' ' ' ASP . 1.4 tmtp? -140.19 142.32 35.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HA2' ' A' ' 34' ' ' GLY . 27.5 t80 -132.97 128.23 35.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' HB2' ' CE ' ' A' ' 31' ' ' LYS . 29.9 t0 -120.05 29.79 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA2' ' CZ ' ' A' ' 32' ' ' PHE . . . 81.35 -36.72 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.91 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.8 m -143.28 172.67 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -108.15 109.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -104.55 116.62 32.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -110.24 121.23 44.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.03 170.8 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 8.1 p-10 -119.67 139.21 52.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' GLU . 55.9 t-20 -48.96 -59.71 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ASN . 16.2 tt0 -36.25 -59.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -82.83 153.83 24.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.49 121.26 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.567 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 4.1 mmt 58.88 47.85 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 46' ' ' MET . 11.5 m-85 -163.79 118.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.1 p -154.91 139.39 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.86 41.96 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.21 122.03 1.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 tt -148.6 146.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mt -115.78 111.68 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -39.67 -38.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -52.12 -47.04 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.33 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' HD22 ' A' ' 98' ' ' LEU . 67.0 mt -52.8 106.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -87.95 -41.75 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -168.05 158.88 10.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 70' ' ' VAL . 60.1 t -137.77 144.94 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -152.34 153.84 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 62' ' ' VAL . 31.6 m -73.86 124.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' O ' ' C ' ' A' ' 64' ' ' GLY . 11.5 tt0 -99.75 117.64 34.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . 31.12 -99.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -75.29 48.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.626 ' NZ ' HG12 ' A' ' 78' ' ' VAL . 4.3 mtpm? -126.29 176.46 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 46.3 p90 -148.1 144.87 28.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' HG2' ' CG2' ' A' ' 76' ' ' THR . 12.2 tt0 -100.55 113.88 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.434 ' HA ' HG22 ' A' ' 60' ' ' VAL . 87.9 t -90.99 99.8 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.74 134.88 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.7 p -145.5 159.61 42.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.3 m -63.69 -46.99 83.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.73 -65.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' THR . 13.5 ptm180 -171.6 120.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.493 ' CG2' ' HG2' ' A' ' 69' ' ' GLU . 87.5 m -35.43 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.42 164.47 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.626 HG12 ' NZ ' ' A' ' 67' ' ' LYS . 41.5 t -137.02 135.3 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 57.0 m-85 -132.54 156.54 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.32 144.56 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG11 ' HA ' ' A' ' 87' ' ' ARG . 30.9 m -101.82 175.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -108.15 -20.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.55 155.43 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -57.58 -43.86 84.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.15 -53.07 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -45.11 -43.89 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HA ' HG11 ' A' ' 81' ' ' VAL . 33.7 ttp85 -49.92 -44.04 50.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -81.31 -40.85 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.53 -61.98 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.53 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 86.0 m95 -47.82 -62.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 68' ' ' PHE . 64.4 mt -51.05 -48.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 t -55.14 -41.87 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 83.1 mt -66.62 -45.58 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.77 -54.46 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 98' ' ' LEU . 83.7 mt -55.29 -36.94 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.86 -34.27 62.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.1 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 95' ' ' LEU . 12.7 mt -58.82 -47.55 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.54 -44.61 72.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.8 t -44.41 -45.3 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -47.03 -48.01 22.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.1 t -132.32 115.65 15.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -138.07 166.81 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.4 t -94.13 143.02 26.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.7 p -62.28 123.18 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -133.7 178.87 6.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -81.02 171.78 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -160.61 140.03 10.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -141.4 134.53 29.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.6 p -101.88 131.39 48.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -118.13 156.93 15.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -177.46 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.2 p -125.95 147.33 49.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -167.41 131.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -78.22 -50.48 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m 51.96 42.51 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 46.88 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -132.63 137.69 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -104.8 161.73 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.81 111.58 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -87.13 17.44 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.46 173.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 90' ' ' TRP . 22.5 tttm -166.32 141.36 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -151.76 147.44 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.88 159.58 21.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 41' ' ' ASN . 91.9 m95 -70.03 107.12 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 16.3 mt -117.33 141.19 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -72.94 125.53 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 79' ' ' PHE . 20.5 tptm -116.09 147.53 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.85 HD23 ' HB ' ' A' ' 78' ' ' VAL . 4.5 pp -84.38 31.48 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.441 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 89.4 p -129.02 54.47 14.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 18' ' ' SER . 53.4 Cg_endo -69.73 -165.31 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.15 90.67 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.0 -84.07 0.85 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -52.34 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -133.92 101.77 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.8 tpt -174.51 154.93 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.62 121.81 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -128.08 -75.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -175.12 117.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -151.05 129.06 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -71.63 150.88 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' HD12 ' A' ' 14' ' ' LEU . 56.9 t -145.54 129.52 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -132.12 145.26 51.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -124.49 137.26 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.59 -38.44 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.64 -26.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -97.78 -49.04 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 51' ' ' ILE . 93.8 p -150.33 170.97 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 30' ' ' VAL . 18.0 mt -110.02 119.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 m -101.39 124.47 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CE1' ' C ' ' A' ' 50' ' ' GLY . 24.7 p90 -119.04 138.11 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' ASN . 2.0 p90 -164.28 106.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.572 ' O ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 p-10 -34.35 -62.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -133.38 -58.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -163.87 163.86 23.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -170.36 159.71 7.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -44.93 161.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.1 mmm -92.39 44.66 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -144.2 123.59 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t 55.12 46.54 23.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -72.95 132.46 43.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.536 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . -43.33 110.99 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.528 HD11 ' OG ' ' A' ' 36' ' ' SER . 20.0 tt -150.65 139.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 23.1 mt -116.7 112.41 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.1 Cg_endo -69.76 119.2 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' PRO . 5.6 tp -37.57 -42.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -51.97 -47.02 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -52.73 -46.6 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -50.09 112.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.46 ' HB2' HG12 ' A' ' 71' ' ' VAL . 3.0 m -87.76 -49.21 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -151.74 164.24 37.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -138.62 129.44 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.91 170.18 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.6 m -98.52 145.22 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' GLY . 7.2 tt0 -105.27 160.1 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -34.15 -69.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.69 -176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -76.62 50.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -142.53 175.1 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 79' ' ' PHE . 6.0 p90 -137.33 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -118.05 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -91.45 92.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 58' ' ' SER . 88.9 t -65.11 126.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' THR . 2.4 p -137.31 129.29 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . 55.8 m -33.96 -56.12 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -49.68 -72.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -161.45 121.85 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.5 m -45.86 142.29 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -127.79 170.25 12.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.85 ' HB ' HD23 ' A' ' 17' ' ' LEU . 34.5 t -135.43 136.97 50.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 40.9 m-85 -130.02 135.78 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -112.0 139.84 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 m -104.58 177.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.8 -22.85 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -136.29 145.08 45.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -52.13 -41.52 62.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.471 ' HA ' ' ND2' ' A' ' 88' ' ' ASN . 15.9 tt0 -58.83 -43.99 90.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.33 -43.67 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -53.92 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.471 ' ND2' ' HA ' ' A' ' 85' ' ' GLU . 2.0 p30 -54.92 -36.5 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -58.79 -50.97 71.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.662 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 79.9 m95 -60.72 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.559 HG22 HD12 ' A' ' 95' ' ' LEU . 71.2 mt -48.85 -40.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.3 t -60.32 -45.93 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 70.5 mt -67.52 -46.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.22 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 91' ' ' ILE . 28.9 mt -52.04 -33.66 39.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -79.53 -19.31 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.57 -29.71 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.555 HD23 HE21 ' A' ' 101' ' ' GLN . 11.1 mt -72.8 -53.19 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -52.38 -32.64 39.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -62.12 -54.46 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.555 HE21 HD23 ' A' ' 98' ' ' LEU . 9.8 pt20 -65.07 -30.43 71.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 14.9 m -46.51 -42.45 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 104' ' ' THR . 1.3 pp -65.69 128.32 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 103' ' ' LEU . 3.7 t -34.35 126.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -169.71 142.88 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -85.01 121.66 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.1 m -142.82 163.09 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -93.3 118.14 30.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -134.81 172.94 12.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -155.75 168.15 28.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -142.81 79.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 123.06 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -76.84 133.18 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.1 p 43.75 42.12 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -48.03 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -137.67 140.42 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.48 -156.02 5.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.435 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -132.36 140.05 48.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 m -107.26 139.23 42.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.48 129.13 6.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -108.65 21.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.01 175.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HB2' HD13 ' A' ' 93' ' ' ILE . 23.2 tptt -160.09 152.94 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 p -158.23 125.64 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 138.17 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 87.1 m95 -50.37 112.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 68.4 mt -109.33 141.12 42.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.26 97.45 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 28.6 tttm -104.54 148.09 26.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.574 HD11 ' O ' ' A' ' 21' ' ' GLY . 32.8 tp -93.59 100.52 12.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.576 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -84.52 -67.04 0.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 54.1 Cg_endo -69.77 -175.98 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -88.1 137.81 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.574 ' O ' HD11 ' A' ' 17' ' ' LEU . . . 127.75 132.56 3.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.72 -44.78 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -77.6 46.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 17' ' ' LEU . 5.6 ptp -169.5 139.67 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -139.68 159.92 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 99.9 7.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.72 123.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' NH2' ' HB2' ' A' ' 18' ' ' SER . 16.9 mtm180 -147.59 134.02 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 29' ' ' TRP . 2.3 t-105 -73.99 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG13 ' CG2' ' A' ' 37' ' ' ILE . 86.9 t -112.69 148.01 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -146.38 132.03 18.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 47.3 t80 -123.42 124.93 44.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HD23 ' A' ' 35' ' ' LEU . 10.7 t70 -109.25 21.48 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 91.68 -38.2 3.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -78.04 -62.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 51' ' ' ILE . 17.6 m -144.59 175.63 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.513 ' CG2' HG13 ' A' ' 30' ' ' VAL . 27.4 mt -111.71 108.44 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 40.2 m -109.62 114.04 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -105.32 159.28 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -131.62 172.65 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -112.15 143.29 43.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -38.93 -54.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -63.32 168.58 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -48.62 149.76 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -71.9 105.91 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 mtt -89.34 171.11 9.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' SER . 32.3 p90 -44.82 -44.26 9.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 47' ' ' TYR . 6.6 m -36.2 118.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -107.5 143.42 35.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.74 102.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -137.35 139.02 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' N ' HD13 ' A' ' 51' ' ' ILE . 22.4 mt -109.28 111.19 60.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' ' 56' ' ' ALA . 54.4 Cg_endo -69.75 142.05 46.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.64 -39.56 73.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 t -53.33 -46.56 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB2' ' HG2' ' A' ' 53' ' ' PRO . . . -48.43 -48.26 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.874 HD13 HD22 ' A' ' 94' ' ' LEU . 81.2 mt -50.8 92.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -78.03 -44.99 24.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.1 t -166.19 139.41 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.53 144.91 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 2.2 ptm85 -141.12 121.38 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 91' ' ' ILE . 31.4 m -50.24 153.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 67' ' ' LYS . 13.5 mm100 -111.03 178.36 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . . . -32.55 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASN . 1.6 m-20 -134.57 145.57 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ASP . 24.7 m-80 35.63 44.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 63' ' ' GLN . 8.1 mtmp? -148.29 176.69 10.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.429 ' C ' ' HG2' ' A' ' 63' ' ' GLN . 21.0 p90 -167.32 152.56 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.619 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -111.77 128.5 56.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -106.72 99.94 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.6 126.88 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.9 p -131.25 158.48 40.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.1 m -58.87 -48.77 80.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.33 -62.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' THR . 9.6 ptt180 -172.9 116.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ARG . 43.7 m -37.06 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -120.05 138.85 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.619 HG22 ' CD ' ' A' ' 69' ' ' GLU . 60.6 t -97.04 131.87 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.406 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 m-85 -128.33 158.4 38.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -136.91 131.35 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.73 HG21 ' HB2' ' A' ' 87' ' ' ARG . 13.0 m -95.05 173.83 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -102.4 -26.67 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -128.37 153.17 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -58.96 -46.52 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.34 -47.52 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -55.78 -49.06 74.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -46.13 -46.59 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.3 -52.51 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.557 ' OD1' HD11 ' A' ' 93' ' ' ILE . 4.6 t70 -46.7 -60.45 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.603 ' HA ' HD12 ' A' ' 93' ' ' ILE . 60.5 m95 -42.73 -56.94 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 62' ' ' VAL . 77.6 mt -51.23 -62.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -42.81 -55.33 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 90' ' ' TRP . 31.5 mt -44.14 -60.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.874 HD22 HD13 ' A' ' 57' ' ' ILE . 29.6 mt -47.66 -57.13 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 65.5 mt -50.84 -47.9 60.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -58.35 -39.88 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.92 -57.76 11.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.3 mt -38.77 -46.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.53 -50.89 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.4 t -42.99 -46.28 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -56.75 -51.46 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t -38.69 -52.46 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt 61.8 41.67 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.4 m -47.18 -61.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.5 p -51.6 118.75 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -52.84 121.46 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 m -164.8 128.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -65.44 141.02 58.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.77 151.0 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 t -143.64 135.58 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.19 80.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.78 2.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.666 2.244 . . . . 0.0 112.378 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 m -88.17 144.28 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.8 m -70.89 157.63 37.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -140.61 161.01 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -161.41 156.18 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.65 69.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -75.15 170.39 16.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.817 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -81.05 163.1 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.87 107.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -91.08 6.82 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.4 -178.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 90' ' ' TRP . 40.4 tttp -165.6 137.33 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -143.26 147.88 35.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.66 163.45 15.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 96.5 m95 -67.34 108.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD11 ' CZ2' ' A' ' 90' ' ' TRP . 96.1 mt -109.03 145.08 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.71 126.54 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -113.74 158.91 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -112.69 86.88 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.518 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -64.45 -59.27 11.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.806 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 18' ' ' SER . 53.1 Cg_endo -69.73 178.91 4.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.268 . . . . 0.0 112.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -133.67 152.62 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.95 18.99 3.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -133.51 130.83 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -73.63 100.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 ttt -173.25 116.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -111.65 135.0 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -91.66 149.7 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.2 ttmm -115.75 119.12 35.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -147.76 136.02 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -62.94 124.34 20.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 31' ' ' LYS . 37.3 t -114.68 157.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 30' ' ' VAL . 28.6 tttt -159.62 140.65 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.528 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 45.3 t80 -121.1 138.75 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.07 -29.08 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 32' ' ' PHE . . . 130.41 -14.28 5.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 12.4 mt -105.43 -42.79 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 p -155.13 175.48 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.3 mt -109.95 106.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.442 ' OG ' ' CG1' ' A' ' 51' ' ' ILE . 61.4 m -113.89 115.8 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -119.27 145.53 46.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.58 170.34 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.22 178.93 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.01 35.14 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.79 156.02 49.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -78.5 95.49 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -133.83 136.87 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.95 174.49 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 39.97 34.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.7 m -44.3 137.22 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -143.45 175.13 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.12 77.77 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -146.24 140.76 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 51' ' ' ILE . 13.5 mt -124.82 112.87 27.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.703 HD21 ' HG2' ' A' ' 101' ' ' GLN . 6.2 tp -38.44 -37.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 t -53.97 -49.87 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.19 -49.65 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.1 mt -47.83 129.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 -44.72 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 t -166.76 133.25 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.01 134.6 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -140.97 161.65 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.85 145.61 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 69' ' ' GLU . 8.7 mt-30 -149.5 138.77 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.83 -138.96 21.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -101.42 -65.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.646 ' O ' HG22 ' A' ' 81' ' ' VAL . 2.4 m120 -120.9 42.33 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -137.91 165.24 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 79' ' ' PHE . 14.2 p90 -140.4 160.39 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HB2' ' NE2' ' A' ' 63' ' ' GLN . 20.6 tt0 -114.9 116.25 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -96.2 104.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.408 ' HA ' HG23 ' A' ' 76' ' ' THR . 85.1 t -72.88 117.42 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -128.99 129.41 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' THR . 9.6 m -35.61 -55.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -47.74 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -170.92 111.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 71' ' ' VAL . 35.7 m -40.37 135.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -117.57 177.19 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.22 122.1 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 33.1 m-85 -117.61 143.63 45.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -115.53 149.83 37.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 66' ' ' ASN . 13.7 m -111.9 174.47 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -102.78 -24.1 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -142.33 159.99 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.74 -54.41 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -42.27 -47.21 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -53.18 -42.44 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -48.81 -62.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.83 -49.22 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -50.12 -68.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.634 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 68.4 m95 -41.97 -59.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.72 -68.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -37.89 -47.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.23 -53.21 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.0 mt -54.33 -57.65 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.98 -49.61 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -46.8 -40.84 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' GLN . . . -65.95 -38.17 87.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.478 ' HA ' ' CG ' ' A' ' 101' ' ' GLN . 40.6 mt -64.41 -29.85 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.44 -56.92 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.5 t -61.0 -52.3 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.703 ' HG2' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -56.2 -34.82 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.7 t -70.24 97.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -149.81 151.6 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.4 t -106.23 159.05 16.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -38.16 -51.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 6.8 mp0 -51.28 138.1 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 t -118.04 130.43 56.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 109' ' ' ALA . 58.3 tp60 -162.76 153.66 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 108' ' ' GLN . . . -103.04 121.54 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.4 m -110.04 -60.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.83 118.45 12.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -172.86 160.76 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -61.91 163.77 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.951 . . . . . . . . 0 0 . 1 stop_ save_